Molecule ID: 86863

IUPAC Name: 2-phenyl-2-piperidin-2-ylacetic acid

Description: The molecule is a monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a monocarboxylic acid and a member of piperidines.

SMILES: O=C(O)C(c1ccccc1)C1CCCCN1

SELFIES: [O][=C][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1]

InChI: InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: -2.4