4-(4-phenoxyphenyl)piperidine hydrochloride

• ChemBase ID: 19437
• Molecular Formular: C17H20ClNO
• Molecular Mass: 289.7998
• Monoisotopic Mass: 289.12334195
• SMILES: N1CCC(c2ccc(Oc3ccccc3)cc2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)c1ccc(cc1)Oc1ccccc1.Cl
• InChI: InChI=1S/C17H19NO.ClH/c1-2-4-16(5-3-1)19-17-8-6-14(7-9-17)15-10-12-18-13-11-15;/h1-9,15,18H,10-13H2;1H
• InChIKey: BIGMUKPPNOBNSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenoxyphenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(4-phenoxyphenyl)piperidine hydrochloride
• Synonyms: 4-(4-Phenoxyphenyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD09475410
• PubChem SID: 160982744
• PubChem CID: 45075217

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.35614175
• LogD (pH = 7.4): 1.0042892
• Log P: 3.578598
• Molar Refractivity: 77.7198 cm^3
• Polarizability: 30.634417 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