4-(3-chlorophenyl)piperidine hydrochloride

• ChemBase ID: 293716
• Molecular Formular: C11H15Cl2N
• Molecular Mass: 232.1495
• Monoisotopic Mass: 231.05815485
• SMILES: Clc1cc(C2CCNCC2)ccc1.Cl
• Canonical SMILES: Clc1cccc(c1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H14ClN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
• InChIKey: SAXMEDYZBPHVLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-chlorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-chlorophenyl)piperidine hydrochloride
• Synonyms: 4-(3-Chloro-phenyl)-piperidine hydrochloride; 4-(3-Chlorophenyl)piperidine hydrochloride

Database IDs

• CAS Number: 99329-70-1
• PubChem SID: 180679247
• PubChem CID: 44890885

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.53894085
• LogD (pH = 7.4): 0.12822421
• Log P: 2.6823554
• Molar Refractivity: 56.2838 cm^3
• Polarizability: 22.118593 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%