3-[(4-phenylphenyl)methoxy]piperidine hydrochloride

• ChemBase ID: 20840
• Molecular Formular: C18H22ClNO
• Molecular Mass: 303.82638
• Monoisotopic Mass: 303.13899201
• SMILES: c1(c2ccccc2)ccc(COC2CNCCC2)cc1.Cl
• Canonical SMILES: C1CCC(CN1)OCc1ccc(cc1)c1ccccc1.Cl
• InChI: InChI=1S/C18H21NO.ClH/c1-2-5-16(6-3-1)17-10-8-15(9-11-17)14-20-18-7-4-12-19-13-18;/h1-3,5-6,8-11,18-19H,4,7,12-14H2;1H
• InChIKey: CSTHKRPLYQAKRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-phenylphenyl)methoxy]piperidine hydrochloride
• IUPAC Traditional name: 3-[(4-phenylphenyl)methoxy]piperidine hydrochloride
• Synonyms: 3-([1,1'-Biphenyl]-4-ylmethoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD11100494
• PubChem SID: 160984147
• PubChem CID: 46735655

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4070435
• LogD (pH = 7.4): 1.3958362
• Log P: 3.597409
• Molar Refractivity: 82.6969 cm^3
• Polarizability: 33.937893 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false