2-(diphenylmethyl)-1-methylpiperidin-3-ol

• ChemBase ID: 129412
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: c1ccccc1C(c1ccccc1)C1C(O)CCCN1C
• Canonical SMILES: CN1CCCC(C1C(c1ccccc1)c1ccccc1)O
• InChI: InChI=1S/C19H23NO/c1-20-14-8-13-17(21)19(20)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17-19,21H,8,13-14H2,1H3
• InChIKey: DQNBDZSLMWHFTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethyl)-1-methylpiperidin-3-ol
• IUPAC Traditional name: 2-(diphenylmethyl)-1-methylpiperidin-3-ol
• Synonyms: SCH-5472

Database IDs

• CAS Number: 20068-90-0
• PubChem SID: 162223706
• PubChem CID: 209634
• Wikipedia Title: SCH-5472

CALCULATED PROPERTIES

• Acid pKa: 14.563476
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12848738
• LogD (pH = 7.4): 1.331721
• Log P: 3.5373101
• Molar Refractivity: 87.096 cm^3
• Polarizability: 34.207417 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true