Friday, August 26, 2011

http://ChemLookup.com Compounds




CAS RN: 205059-24-1
CAS Name: 4-(4-piperidinyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4-piperidyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-piperidin-4-ylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-piperidin-4-ylpiperazine-1-carboxylate
MOLECULAR FORMULA: C14H27N3O2
MOLECULAR WEIGHT: 269.38308
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2CCNCC2
Structure:

CAS RN: 788153-44-6
CAS Name: 2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-oxoacetic acid
OPENEYE Name: 2-(4-tert-butoxycarbonylpiperazin-1-yl)-2-oxo-acetic acid
IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C11H18N2O5
MOLECULAR WEIGHT: 258.27102
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=O)O
Structure:

CAS RN: 77278-70-7
CAS Name: 4-(2-amino-2-oxoethyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(2-amino-2-oxo-ethyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(2-amino-2-oxoethyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(2-azanyl-2-oxidanylidene-ethyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C11H21N3O3
MOLECULAR WEIGHT: 243.30274
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)N
Structure:

CAS RN: 202207-79-2
CAS Name: N-[2-(methylamino)ethyl]carbamic acid tert-butyl ester hydrochloride
OPENEYE Name: tert-butyl N-[2-(methylamino)ethyl]carbamate hydrochloride
IUPAC Name: tert-butyl N-[2-(methylamino)ethyl]carbamate hydrochloride
SYSTEMATIC NAME: tert-butyl N-[2-(methylamino)ethyl]carbamate hydrochloride
MOLECULAR FORMULA: C8H19ClN2O2
MOLECULAR WEIGHT: 210.70166
SMILES: CC(C)(C)OC(=O)NCCNC.Cl
Structure:

CAS RN: 883554-88-9
CAS Name: 4-carbamoyl-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-carbamoylpiperazine-1-carboxylate
IUPAC Name: tert-butyl 4-carbamoylpiperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-aminocarbonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C10H19N3O3
MOLECULAR WEIGHT: 229.27616
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N
Structure:

CAS RN: 525587-00-2
CAS Name: N-[2-oxo-2-(1-piperazinyl)ethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-oxo-2-piperazin-1-yl-ethyl)carbamate
IUPAC Name: tert-butyl N-(2-oxo-2-piperazin-1-ylethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-oxidanylidene-2-piperazin-1-yl-ethyl)carbamate
MOLECULAR FORMULA: C11H21N3O3
MOLECULAR WEIGHT: 243.30274
SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCNCC1
Structure:

CAS RN: 4981-85-5
CAS Name: 1-(2-phenylmethoxyethyl)piperazine
OPENEYE Name: 1-(2-benzyloxyethyl)piperazine
IUPAC Name: 1-(2-phenylmethoxyethyl)piperazine
SYSTEMATIC NAME: 1-(2-phenylmethoxyethyl)piperazine
MOLECULAR FORMULA: C13H20N2O
MOLECULAR WEIGHT: 220.3107
SMILES: C1CN(CCN1)CCOCC2=CC=CC=C2
Structure:

CAS RN: 199672-26-9
CAS Name: 1-(phenylmethyl)-1,4-diazepane dihydrochloride
OPENEYE Name: 1-benzyl-1,4-diazepane dihydrochloride
IUPAC Name: 1-benzyl-1,4-diazepane dihydrochloride
SYSTEMATIC NAME: 1-(phenylmethyl)-1,4-diazepane dihydrochloride
MOLECULAR FORMULA: C12H20Cl2N2
MOLECULAR WEIGHT: 263.2066
SMILES: C1CNCCN(C1)CC2=CC=CC=C2.Cl.Cl
Structure:

CAS RN: 671212-34-3
CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]carbamate
IUPAC Name: tert-butyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]carbamate
MOLECULAR FORMULA: C18H27N3O3
MOLECULAR WEIGHT: 333.42528
SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)CC2=CC=CC=C2
Structure:

CAS RN: 100138-46-3
CAS Name: 4-benzoyl-1-piperazinecarboxamide
OPENEYE Name: 4-benzoylpiperazine-1-carboxamide
IUPAC Name: 4-benzoylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-(phenylcarbonyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C12H15N3O2
MOLECULAR WEIGHT: 233.2664
SMILES: C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)N
Structure:

CAS RN: 221043-84-1
CAS Name: 3-amino-1-(1-piperidinyl)-1-propanone hydrochloride
OPENEYE Name: 3-amino-1-(1-piperidyl)propan-1-one hydrochloride
IUPAC Name: 3-amino-1-piperidin-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 3-azanyl-1-piperidin-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C8H17ClN2O
MOLECULAR WEIGHT: 192.68638
SMILES: C1CCN(CC1)C(=O)CCN.Cl
Structure:

CAS RN: 7292-63-9
CAS Name: 2-(5-aminopentyl)isoindole-1,3-dione hydrochloride
OPENEYE Name: 2-(5-aminopentyl)isoindoline-1,3-dione hydrochloride
IUPAC Name: 2-(5-aminopentyl)isoindole-1,3-dione hydrochloride
SYSTEMATIC NAME: 2-(5-azanylpentyl)isoindole-1,3-dione hydrochloride
MOLECULAR FORMULA: C13H17ClN2O2
MOLECULAR WEIGHT: 268.73928
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCN.Cl
Structure:

CAS RN: 42389-57-1
CAS Name: 1-methyl-3-piperidinamine dihydrochloride
OPENEYE Name: 1-methylpiperidin-3-amine dihydrochloride
IUPAC Name: 1-methylpiperidin-3-amine dihydrochloride
SYSTEMATIC NAME: 1-methylpiperidin-3-amine dihydrochloride
MOLECULAR FORMULA: C6H16Cl2N2
MOLECULAR WEIGHT: 187.11064
SMILES: CN1CCCC(C1)N.Cl.Cl
Structure:

CAS RN: 85692-43-9
CAS Name: 2-amino-2-(1-methyl-2-imidazolyl)acetic acid
OPENEYE Name: 2-amino-2-(1-methylimidazol-2-yl)acetic acid
IUPAC Name: 2-amino-2-(1-methylimidazol-2-yl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(1-methylimidazol-2-yl)ethanoic acid
MOLECULAR FORMULA: C6H9N3O2
MOLECULAR WEIGHT: 155.15456
SMILES: CN1C=CN=C1C(C(=O)O)N
Structure:

CAS RN: 534596-29-7
CAS Name: 1-propan-2-yl-4-piperidinamine dihydrochloride
OPENEYE Name: 1-isopropylpiperidin-4-amine dihydrochloride
IUPAC Name: 1-propan-2-ylpiperidin-4-amine dihydrochloride
SYSTEMATIC NAME: 1-propan-2-ylpiperidin-4-amine dihydrochloride
MOLECULAR FORMULA: C8H20Cl2N2
MOLECULAR WEIGHT: 215.1638
SMILES: CC(C)N1CCC(CC1)N.Cl.Cl
Structure:

CAS RN: 858001-69-1
CAS Name: 2-aminoethylurea hydrochloride
OPENEYE Name: 2-aminoethylurea hydrochloride
IUPAC Name: 2-aminoethylurea hydrochloride
SYSTEMATIC NAME: 1-(2-azanylethyl)urea hydrochloride
MOLECULAR FORMULA: C3H10ClN3O
MOLECULAR WEIGHT: 139.584
SMILES: C(CNC(=O)N)N.Cl
Structure:

CAS RN: 64281-29-4
CAS Name: N'-pyridin-4-ylethane-1,2-diamine hydrochloride
OPENEYE Name: N'-(4-pyridyl)ethane-1,2-diamine hydrochloride
IUPAC Name: N'-pyridin-4-ylethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-pyridin-4-ylethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C7H12ClN3
MOLECULAR WEIGHT: 173.64328
SMILES: C1=CN=CC=C1NCCN.Cl
Structure:

CAS RN: 34105-56-1
CAS Name: 3-amino-N,N-diethylpropanamide hydrochloride
OPENEYE Name: 3-amino-N,N-diethyl-propanamide hydrochloride
IUPAC Name: 3-amino-N,N-diethylpropanamide hydrochloride
SYSTEMATIC NAME: 3-azanyl-N,N-diethyl-propanamide hydrochloride
MOLECULAR FORMULA: C7H17ClN2O
MOLECULAR WEIGHT: 180.67568
SMILES: CCN(CC)C(=O)CCN.Cl
Structure:

CAS RN: 108723-79-1
CAS Name: 2-amino-N,N-diethylacetamide hydrochloride
OPENEYE Name: 2-amino-N,N-diethyl-acetamide hydrochloride
IUPAC Name: 2-amino-N,N-diethylacetamide hydrochloride
SYSTEMATIC NAME: 2-azanyl-N,N-diethyl-ethanamide hydrochloride
MOLECULAR FORMULA: C6H15ClN2O
MOLECULAR WEIGHT: 166.6491
SMILES: CCN(CC)C(=O)CN.Cl
Structure:

CAS RN: 199536-01-1
CAS Name: 3-amino-5-cyanobenzoic acid methyl ester
OPENEYE Name: methyl 3-amino-5-cyano-benzoate
IUPAC Name: methyl 3-amino-5-cyanobenzoate
SYSTEMATIC NAME: methyl 3-azanyl-5-cyano-benzoate
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC(=O)C1=CC(=CC(=C1)C#N)N
Structure:

CAS RN: 711002-74-3
CAS Name: 3-amino-1-piperidinecarboxylic acid (phenylmethyl) ester hydrochloride
OPENEYE Name: benzyl 3-aminopiperidine-1-carboxylate hydrochloride
IUPAC Name: benzyl 3-aminopiperidine-1-carboxylate hydrochloride
SYSTEMATIC NAME: (phenylmethyl) 3-azanylpiperidine-1-carboxylate hydrochloride
MOLECULAR FORMULA: C13H19ClN2O2
MOLECULAR WEIGHT: 270.75516
SMILES: C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)N.Cl
Structure:

CAS RN: 883554-97-0
CAS Name: 4-[(3-aminophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(3-aminobenzoyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(3-aminobenzoyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(3-aminophenyl)carbonylpiperazine-1-carboxylate
MOLECULAR FORMULA: C16H23N3O3
MOLECULAR WEIGHT: 305.37212
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)N
Structure:

CAS RN: 112952-20-2
CAS Name: 1-(2-chloroethyl)-4-prop-2-enylpiperazine dihydrochloride
OPENEYE Name: 1-allyl-4-(2-chloroethyl)piperazine dihydrochloride
IUPAC Name: 1-(2-chloroethyl)-4-prop-2-enylpiperazine dihydrochloride
SYSTEMATIC NAME: 1-(2-chloroethyl)-4-prop-2-enyl-piperazine dihydrochloride
MOLECULAR FORMULA: C9H19Cl3N2
MOLECULAR WEIGHT: 261.61956
SMILES: C=CCN1CCN(CC1)CCCl.Cl.Cl
Structure:

CAS RN: 83502-55-0
CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazinyl]ethanone hydrochloride
OPENEYE Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone hydrochloride
IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone hydrochloride
MOLECULAR FORMULA: C8H17ClN2O2
MOLECULAR WEIGHT: 208.68578
SMILES: CC(=O)N1CCN(CC1)CCO.Cl
Structure:

CAS RN: 92928-18-2
CAS Name: 1-[4-(2-chloroethyl)-1-piperazinyl]ethanone hydrochloride
OPENEYE Name: 1-[4-(2-chloroethyl)piperazin-1-yl]ethanone hydrochloride
IUPAC Name: 1-[4-(2-chloroethyl)piperazin-1-yl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[4-(2-chloroethyl)piperazin-1-yl]ethanone hydrochloride
MOLECULAR FORMULA: C8H16Cl2N2O
MOLECULAR WEIGHT: 227.13144
SMILES: CC(=O)N1CCN(CC1)CCCl.Cl
Structure:

CAS RN: 170434-11-4
CAS Name: 5-bromo-2-(hydroxymethyl)phenol
OPENEYE Name: 5-bromo-2-(hydroxymethyl)phenol
IUPAC Name: 5-bromo-2-(hydroxymethyl)phenol
SYSTEMATIC NAME: 5-bromanyl-2-(hydroxymethyl)phenol
MOLECULAR FORMULA: C7H7BrO2
MOLECULAR WEIGHT: 203.03328
SMILES: C1=CC(=C(C=C1Br)O)CO
Structure:

CAS RN: 28165-46-0
CAS Name: 2-bromo-6-(hydroxymethyl)phenol
OPENEYE Name: 2-bromo-6-(hydroxymethyl)phenol
IUPAC Name: 2-bromo-6-(hydroxymethyl)phenol
SYSTEMATIC NAME: 2-bromanyl-6-(hydroxymethyl)phenol
MOLECULAR FORMULA: C7H7BrO2
MOLECULAR WEIGHT: 203.03328
SMILES: C1=CC(=C(C(=C1)Br)O)CO
Structure:

CAS RN: 71440-79-4
CAS Name: tetracene-5,12-dicarboxaldehyde
OPENEYE Name: tetracene-5,12-dicarbaldehyde
IUPAC Name: tetracene-5,12-dicarbaldehyde
SYSTEMATIC NAME: tetracene-5,12-dicarbaldehyde
MOLECULAR FORMULA: C20H12O2
MOLECULAR WEIGHT: 284.30808
SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=C4C=CC=CC4=C3C=O)C=O
Structure:

CAS RN: 731812-03-6
CAS Name: 4-[(3-iodophenyl)methyl]morpholine
OPENEYE Name: 4-[(3-iodophenyl)methyl]morpholine
IUPAC Name: 4-[(3-iodophenyl)methyl]morpholine
SYSTEMATIC NAME: 4-[(3-iodanylphenyl)methyl]morpholine
MOLECULAR FORMULA: C11H14INO
MOLECULAR WEIGHT: 303.13943
SMILES: C1COCCN1CC2=CC(=CC=C2)I
Structure:

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