4-(3,5-dichlorophenyl)piperidine

• ChemBase ID: 800960
• Molecular Formular: C11H13Cl2N
• Molecular Mass: 230.13362
• Monoisotopic Mass: 229.04250478
• SMILES: C1(CCNCC1)c1cc(cc(c1)Cl)Cl
• Canonical SMILES: Clc1cc(cc(c1)Cl)C1CCNCC1
• InChI: InChI=1S/C11H13Cl2N/c12-10-5-9(6-11(13)7-10)8-1-3-14-4-2-8/h5-8,14H,1-4H2
• InChIKey: SDAZCHLLTBVGCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,5-dichlorophenyl)piperidine
• IUPAC Traditional name: 4-(3,5-dichlorophenyl)piperidine
• Synonyms: 4-(3,5-Dichloro-phenyl)-piperidine

Database IDs

• CAS Number: 475653-05-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.06587719
• LogD (pH = 7.4): 0.7452459
• Log P: 3.2864
• Molar Refractivity: 61.0886 cm^3
• Polarizability: 23.987633 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%