Molecule ID: 65859

IUPAC Name: (2S)-3-(4-phenylpiperazin-1-yl)propane-1,2-diol

Description: The molecule is a member of the class of N-arylpiperazines that is N-phenylpiperazine in which the amino hydrogen is replaced by a 2,3-dihydroxypropyl group (the S-enantiomer). A peripherally acting antitussive drug that is used as an alternative to opioids. It has a role as an antitussive. It is a N-alkylpiperazine, a N-arylpiperazine and a secondary alcohol.

SMILES: OC[C@@H](O)CN1CCN(c2ccccc2)CC1

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

InChI: InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 46.9 Ų
- LogP: 0.6