3-(2-phenylphenoxy)piperidine

• ChemBase ID: 20854
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: c1(c(c2ccccc2)cccc1)OC1CNCCC1
• Canonical SMILES: C1CCC(CN1)Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C17H19NO/c1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-15-9-6-12-18-13-15/h1-5,7-8,10-11,15,18H,6,9,12-13H2
• InChIKey: HDDIPSFJAPKSKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-phenylphenoxy)piperidine
• IUPAC Traditional name: 3-(2-phenylphenoxy)piperidine
• Synonyms: 3-([1,1'-Biphenyl]-2-yloxy)piperidine

Database IDs

• MDL Number: MFCD08686948
• PubChem SID: 160984161
• PubChem CID: 45075389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.39802274
• LogD (pH = 7.4): 1.5282052
• Log P: 3.563961
• Molar Refractivity: 77.593 cm^3
• Polarizability: 32.083706 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false