Molecule ID: 50909860

IUPAC Name: 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylic acid

Description: The molecule is a piperidinemonocarboxylic acid that is 4-phenylisonipecotic acid in which the hydrogen alpha- to the carboxyl group is substituted by a phenyl group, and the hydrogen attached to the nitrogen is substituted by a 2-(4-aminophenyl)ethyl group. It is an amino acid, a piperidinemonocarboxylic acid and a substituted aniline.

SMILES: Nc1ccc(CCN2CCC(C(=O)O)(c3ccccc3)CC2)cc1

SELFIES: [N][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C20H24N2O2/c21-18-8-6-16(7-9-18)10-13-22-14-11-20(12-15-22,19(23)24)17-4-2-1-3-5-17/h1-9H,10-15,21H2,(H,23,24)

Molecular Properties:
- Polar Surface Area: 66.6 Ų
- LogP: 0.8