[2-(piperazin-1-ylmethyl)phenyl]methanol

• ChemBase ID: 306965
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N1(Cc2c(CO)cccc2)CCNCC1
• Canonical SMILES: OCc1ccccc1CN1CCNCC1
• InChI: InChI=1S/C12H18N2O/c15-10-12-4-2-1-3-11(12)9-14-7-5-13-6-8-14/h1-4,13,15H,5-10H2
• InChIKey: WYNPUVLLUYJROJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(piperazin-1-ylmethyl)phenyl]methanol
• IUPAC Traditional name: [2-(piperazin-1-ylmethyl)phenyl]methanol
• Synonyms: [2-(piperazin-1-ylmethyl)phenyl]methanol

Database IDs

• CAS Number: 887029-37-0
• MDL Number: MFCD08096771

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5702581
• LogD (pH = 7.4): -1.2363302
• Log P: 0.6113645
• Molar Refractivity: 62.172 cm^3
• Polarizability: 24.324497 Å^3
• Polar Surface Area: 35.5 Å^2