phenyl[1-(2-phenylethyl)piperidin-4-yl]methanol

• ChemBase ID: 127562
• Molecular Formular: C20H25NO
• Molecular Mass: 295.4186
• Monoisotopic Mass: 295.19361443
• SMILES: OC(c1ccccc1)C1CCN(CCc2ccccc2)CC1
• Canonical SMILES: OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1
• InChI: InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
• InChIKey: AXNGJCOYCMDPQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl[1-(2-phenylethyl)piperidin-4-yl]methanol
• IUPAC Traditional name: glemanserin
• Synonyms: Glemanserin

Database IDs

• CAS Number: 132553-86-7
• PubChem SID: 162221881
• PubChem CID: 71781
• Chemspider ID: 64815
• Wikipedia Title: Glemanserin

CALCULATED PROPERTIES

• Acid pKa: 14.222588
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5001212
• LogD (pH = 7.4): 2.0216358
• Log P: 3.7662044
• Molar Refractivity: 92.1808 cm^3
• Polarizability: 36.053375 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true