4-(4-phenylphenoxy)piperidine

• ChemBase ID: 20973
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: c1(c2ccccc2)ccc(OC2CCNCC2)cc1
• Canonical SMILES: N1CCC(CC1)Oc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C17H19NO/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-17-10-12-18-13-11-17/h1-9,17-18H,10-13H2
• InChIKey: OYQXDIZBRYDJNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenylphenoxy)piperidine
• IUPAC Traditional name: 4-(4-phenylphenoxy)piperidine
• Synonyms: 4-([1,1'-Biphenyl]-4-yloxy)piperidine

Database IDs

• MDL Number: MFCD06246000
• PubChem SID: 160984280
• PubChem CID: 17178020

CALCULATED PROPERTIES

• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.1008406
• LogD (pH = 7.4): 0.743478
• Log P: 3.106558
• Molar Refractivity: 77.8138 cm^3
• Polarizability: 32.07799 Å^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false