Molecule ID: 134820092

IUPAC Name: 4-[[(2S,5S)-5-[(4-hydroxyphenyl)methyl]piperazin-2-yl]methyl]phenol

Description: The molecule is a member of the class of piperazines that is piperazine in which the pro-S hydrogens at positions 2 and 5 have each been replaced by a p-hydroxybenzyl group. It is a secondary amino compound, a polyphenol and a member of piperazines. It is a conjugate base of a (S,S)-2,5-di-(p-hydroxybenzyl)piperazine(1+).

SMILES: Oc1ccc(C[C@H]2CN[C@@H](Cc3ccc(O)cc3)CN2)cc1

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

InChI: InChI=1S/C18H22N2O2/c21-17-5-1-13(2-6-17)9-15-11-20-16(12-19-15)10-14-3-7-18(22)8-4-14/h1-8,15-16,19-22H,9-12H2/t15-,16-/m0/s1

Molecular Properties:
- Polar Surface Area: 64.5 Ų
- LogP: 2.5