1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid

C19H22N2O2 — CID 4685036

IUPAC1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
SMILESCc1cccc(C(c2ccccc2)N2CCCCC2C(=O)O)n1
InChIInChI=1S/C19H22N2O2/c1-14-8-7-11-16(20-14)18(15-9-3-2-4-10-15)21-13-6-5-12-17(21)19(22)23/h2-4,7-11,17-18H,5-6,12-13H2,1H3,(H,22,23)
InChIKeyPFHRKBBWEWFMQL-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.42
Rot. Bonds4

About 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid

1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid (PubChem CID 4685036) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
PubChem CID4685036
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid
SMILESCc1cccc(C(c2ccccc2)N2CCCCC2C(=O)O)n1
InChIInChI=1S/C19H22N2O2/c1-14-8-7-11-16(20-14)18(15-9-3-2-4-10-15)21-13-6-5-12-17(21)19(22)23/h2-4,7-11,17-18H,5-6,12-13H2,1H3,(H,22,23)
InChIKeyPFHRKBBWEWFMQL-UHFFFAOYSA-N
XLogP3.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-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-[(6-methyl-2-pyridinyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 3568909
1-[(4-bromophenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4556434
1-[(3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3934336
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3665423
1-[(6-methyl-2-pyridinyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3926082
1-[(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 4983234
1-[(4-methoxyphenyl)-phenylmethyl]piperidine-2-carboxylic acid
CID 3881727
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794
1-[(3-chlorophenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 5023473
1-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3991262
1-[(4-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid
CID 5134803

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid (CID 4685036) is 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid is Cc1cccc(C(c2ccccc2)N2CCCCC2C(=O)O)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid?
The InChIKey is PFHRKBBWEWFMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-7-11-16(20-14)18(15-9-3-2-4-10-15)21-13-6-5-12-17(21)19(22)23/h2-4,7-11,17-18H,5-6,12-13H2,1H3,(H,22,23).
What are the key properties of 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid?
1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)-phenylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4685036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).