1-benzyl-4-[2-(diphenylmethoxy)ethyl]piperidine

• ChemBase ID: 125150
• Molecular Formular: C27H31NO
• Molecular Mass: 385.54114
• Monoisotopic Mass: 385.24056462
• SMILES: O(C(c1ccccc1)c1ccccc1)CCC1CCN(Cc2ccccc2)CC1
• Canonical SMILES: c1ccc(cc1)CN1CCC(CC1)CCOC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H31NO/c1-4-10-24(11-5-1)22-28-19-16-23(17-20-28)18-21-29-27(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,23,27H,16-22H2
• InChIKey: WRSJONWBAYSODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-[2-(diphenylmethoxy)ethyl]piperidine
• IUPAC Traditional name: 1-benzyl-4-[2-(diphenylmethoxy)ethyl]piperidine
• Synonyms: 1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine

Database IDs

• CAS Number: 174643-75-5
• PubChem SID: 162219500
• PubChem CID: 9952105
• CHEMBL: 338733
• Chemspider ID: 8127716
• Wikipedia Title: 1-Benzyl-4-(2-(diphenylmethoxy)ethyl)piperidine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9011652
• LogD (pH = 7.4): 4.3560944
• Log P: 6.2117577
• Molar Refractivity: 121.4676 cm^3
• Polarizability: 47.68859 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false