4-phenyl-1-(4-phenylbutyl)piperidine

• ChemBase ID: 125456
• Molecular Formular: C21H27N
• Molecular Mass: 293.44578
• Monoisotopic Mass: 293.21434987
• SMILES: c1ccccc1C1CCN(CCCCc2ccccc2)CC1
• Canonical SMILES: c1ccc(cc1)CCCCN1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
• InChIKey: HQGDPZPNAXRCSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-1-(4-phenylbutyl)piperidine
• IUPAC Traditional name: 4-ppbp
• Synonyms: 4-PPBP

Database IDs

• CAS Number: 136534-70-8
• PubChem SID: 162219806
• PubChem CID: 3035672
• CHEMBL: 325238
• Chemspider ID: 2299855
• MeSH Name: 4-phenyl-1-(4-phenylbutyl)piperidine
• Wikipedia Title: 4-PPBP

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9264295
• LogD (pH = 7.4): 2.995881
• Log P: 5.3636303
• Molar Refractivity: 95.3433 cm^3
• Polarizability: 37.264584 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false