(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid

C13H17ClN2O2 — CID 68661601

IUPAC(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-3-10(4-6-11)8-15-12-2-1-7-16(9-12)13(17)18/h3-6,12,15H,1-2,7-9H2,(H,17,18)/t12-/m1/s1
InChIKeyKARKOAHYYCBIGH-GFCCVEGCSA-N
MW268.74 g/mol
LogP2.57
Rot. Bonds3

About (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid

(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid (PubChem CID 68661601) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
PubChem CID68661601
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H](NCc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-3-10(4-6-11)8-15-12-2-1-7-16(9-12)13(17)18/h3-6,12,15H,1-2,7-9H2,(H,17,18)/t12-/m1/s1
InChIKeyKARKOAHYYCBIGH-GFCCVEGCSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
tert-butyl 4-[(4-chlorophenyl)methylamino]azepane-1-carboxylate
CID 103980818
1-[(3S)-3-[[4-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]prop-2-en-1-one
CID 155353379
ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
CID 142212446
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747533
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
tert-butyl 3-[(2,4-dichlorophenyl)methylamino]piperidine-1-carboxylate
CID 107241465
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
3-[[4-[[4-(4-chlorophenyl)benzoyl]amino]phenyl]methyl]piperidine-1-carboxylic acid
CID 69497348

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid (CID 68661601) is (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid is O=C(O)N1CCC[C@@H](NCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid?
The InChIKey is KARKOAHYYCBIGH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-5-3-10(4-6-11)8-15-12-2-1-7-16(9-12)13(17)18/h3-6,12,15H,1-2,7-9H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid?
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68661601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).