4-benzyl-1-(4-phenyloxane-4-carbonyl)piperidine

• ChemBase ID: 225094
• Molecular Formular: C24H29NO2
• Molecular Mass: 363.49256
• Monoisotopic Mass: 363.21982917
• SMILES: C(=O)(C1(c2ccccc2)CCOCC1)N1CCC(Cc2ccccc2)CC1
• Canonical SMILES: O=C(C1(CCOCC1)c1ccccc1)N1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C24H29NO2/c26-23(24(13-17-27-18-14-24)22-9-5-2-6-10-22)25-15-11-21(12-16-25)19-20-7-3-1-4-8-20/h1-10,21H,11-19H2
• InChIKey: MPVBEBGTTZKTJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzyl-1-(4-phenyloxane-4-carbonyl)piperidine
• IUPAC Traditional name: 4-benzyl-1-(4-phenyloxane-4-carbonyl)piperidine

Database IDs

• PubChem SID: 164281004
• PubChem CID: 27456054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2436457
• LogD (pH = 7.4): 4.2436457
• Log P: 4.2436457
• Molar Refractivity: 108.9926 cm^3
• Polarizability: 42.406143 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds