4-{[(4-phenylphenyl)methoxy]methyl}piperidine

• ChemBase ID: 20750
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: c1(c2ccccc2)ccc(cc1)COCC1CCNCC1
• Canonical SMILES: O(Cc1ccc(cc1)c1ccccc1)CC1CCNCC1
• InChI: InChI=1S/C19H23NO/c1-2-4-18(5-3-1)19-8-6-16(7-9-19)14-21-15-17-10-12-20-13-11-17/h1-9,17,20H,10-15H2
• InChIKey: XFOXDMCZHBCEJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(4-phenylphenyl)methoxy]methyl}piperidine
• IUPAC Traditional name: 4-{[(4-phenylphenyl)methoxy]methyl}piperidine
• Synonyms: 4-[([1,1'-Biphenyl]-4-ylmethoxy)methyl]piperidine

Database IDs

• MDL Number: MFCD08686920
• PubChem SID: 160984057
• PubChem CID: 26191003

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.36918536
• LogD (pH = 7.4): 0.82994
• Log P: 3.600607
• Molar Refractivity: 87.7357 cm^3
• Polarizability: 35.78475 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false