4-phenylpiperidine hydrochloride

• ChemBase ID: 254183
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: N1CCC(c2ccccc2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)c1ccccc1.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
• InChIKey: UPZJLQCUYUTZIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpiperidine hydrochloride
• IUPAC Traditional name: 4-phenylpiperidine hydrochloride
• Synonyms: 4-phenylpiperidine hydrochloride; 4-phenylpiperidinehydrochloride

Database IDs

• CAS Number: 10272-49-8
• MDL Number: MFCD01632527
• PubChem SID: 164310093
• PubChem CID: 82509

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1437469
• LogD (pH = 7.4): -0.4889645
• Log P: 2.0783107
• Molar Refractivity: 51.479 cm^3
• Polarizability: 20.312117 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.343

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: HCl