2-[2-(diphenylmethyl)piperidin-1-yl]ethan-1-ol

• ChemBase ID: 127016
• Molecular Formular: C20H25NO
• Molecular Mass: 295.4186
• Monoisotopic Mass: 295.19361443
• SMILES: OCCN1C(CCCC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: OCCN1CCCCC1C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H25NO/c22-16-15-21-14-8-7-13-19(21)20(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-20,22H,7-8,13-16H2
• InChIKey: UHZJPVXMMCFPNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(diphenylmethyl)piperidin-1-yl]ethan-1-ol
• IUPAC Traditional name: difemetorex
• Synonyms: Difemetorex

Database IDs

• CAS Number: 13862-07-2
• PubChem SID: 162221339
• PubChem CID: 65607
• Chemspider ID: 59048
• Unique Ingredient Identifier: O0417MPF6W
• Wikipedia Title: Difemetorex

CALCULATED PROPERTIES

• Acid pKa: 15.592675
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.47529358
• LogD (pH = 7.4): 1.4852152
• Log P: 3.9221117
• Molar Refractivity: 92.0268 cm^3
• Polarizability: 36.054443 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only