1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

C15H18N2O2 — CID 63136876

IUPAC1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccccc2C#N)C1
InChIInChI=1S/C15H18N2O2/c1-15(14(18)19)7-4-8-17(11-15)10-13-6-3-2-5-12(13)9-16/h2-3,5-6H,4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyOGJJHSAOIVGBCI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.24
Rot. Bonds3

About 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136876) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63136876
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(Cc2ccccc2C#N)C1
InChIInChI=1S/C15H18N2O2/c1-15(14(18)19)7-4-8-17(11-15)10-13-6-3-2-5-12(13)9-16/h2-3,5-6H,4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyOGJJHSAOIVGBCI-UHFFFAOYSA-N
XLogP2.24
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-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-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126646
3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878993
1-[(3-chloro-2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114489088
1-[(2-bromophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147916
3-methyl-1-[(4-nitrophenyl)methyl]piperidine-3-carboxylic acid
CID 63136944
2-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]benzonitrile
CID 95711129
1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137212
2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
1-[(5-bromo-2-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 114077323
2-[[4-(1-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137345347
1-[(4-chloro-2-nitrophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63136232

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 63136876) is 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(Cc2ccccc2C#N)C1.
What is the InChIKey of 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is OGJJHSAOIVGBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(14(18)19)7-4-8-17(11-15)10-13-6-3-2-5-12(13)9-16/h2-3,5-6H,4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).