2-(4-chlorophenyl)piperidine hydrochloride

• ChemBase ID: 74456
• Molecular Formular: C11H15Cl2N
• Molecular Mass: 232.1495
• Monoisotopic Mass: 231.05815485
• SMILES: N1C(c2ccc(cc2)Cl)CCCC1.Cl
• Canonical SMILES: Clc1ccc(cc1)C1CCCCN1.Cl
• InChI: InChI=1S/C11H14ClN.ClH/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;/h4-7,11,13H,1-3,8H2;1H
• InChIKey: POXMBRSBLGHIQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(4-chlorophenyl)piperidine hydrochloride
• Synonyms: 2-(4-Chlorophenyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD02178960
• PubChem SID: 162039375
• PubChem CID: 17749760

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.13959551
• LogD (pH = 7.4): 0.8829071
• Log P: 3.0457726
• Molar Refractivity: 55.923 cm^3
• Polarizability: 22.193726 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant