Molecule ID: 14456347

IUPAC Name: 1-[(2S)-1-(2-benzylphenoxy)propan-2-yl]piperidine

Description: The molecule is a 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine that has S configuration. The racemate comprising equimolar amounts of (R)- and (S)-benproperine is used as a cough suppressant. It is a conjugate base of a (S)-benproperine(1+). It is an enantiomer of a (R)-benproperine.

SMILES: C[C@@H](COc1ccccc1Cc1ccccc1)N1CCCCC1

SELFIES: [C][C@@H1][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1]

InChI: InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 12.5 Ų
- LogP: 5.1