1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid

C13H17ClN2O2 — CID 114426538

IUPAC1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2ccncc2Cl)C(C(=O)O)C1
InChIInChI=1S/C13H17ClN2O2/c1-9-3-5-16(12(6-9)13(17)18)8-10-2-4-15-7-11(10)14/h2,4,7,9,12H,3,5-6,8H2,1H3,(H,17,18)
InChIKeyOGYACHBYFPEFFA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.42
Rot. Bonds3

About 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid

1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426538) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
PubChem CID114426538
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(Cc2ccncc2Cl)C(C(=O)O)C1
InChIInChI=1S/C13H17ClN2O2/c1-9-3-5-16(12(6-9)13(17)18)8-10-2-4-15-7-11(10)14/h2,4,7,9,12H,3,5-6,8H2,1H3,(H,17,18)
InChIKeyOGYACHBYFPEFFA-UHFFFAOYSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426766
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
CID 79833064
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50981156
1-[(3,5-dimethylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426307
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
4-methyl-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid
CID 114426332
4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 114422310
4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 114426836
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid (CID 114426538) is 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid is CC1CCN(Cc2ccncc2Cl)C(C(=O)O)C1.
What is the InChIKey of 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid?
The InChIKey is OGYACHBYFPEFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9-3-5-16(12(6-9)13(17)18)8-10-2-4-15-7-11(10)14/h2,4,7,9,12H,3,5-6,8H2,1H3,(H,17,18).
What are the key properties of 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid?
1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).