Molecule ID: 4296

IUPAC Name: 1-[3-(trifluoromethyl)phenyl]piperazine

Description: The molecule is a N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. It has a role as a xenobiotic, an environmental contaminant, a psychotropic drug and a serotonergic agonist. It is a member of (trifluoromethyl)benzenes and a N-arylpiperazine.

SMILES: FC(F)(F)c1cccc(N2CCNCC2)c1

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

InChI: InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2

Molecular Properties:
- Polar Surface Area: 15.3 Ų
- LogP: 2.3