1-(4-bromo-3-chlorophenyl)piperidine

• ChemBase ID: 290230
• Molecular Formular: C11H13BrClN
• Molecular Mass: 274.58462
• Monoisotopic Mass: 272.9919891
• SMILES: Clc1cc(N2CCCCC2)ccc1Br
• Canonical SMILES: Brc1ccc(cc1Cl)N1CCCCC1
• InChI: InChI=1S/C11H13BrClN/c12-10-5-4-9(8-11(10)13)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2
• InChIKey: BYODOHYKGIBOIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromo-3-chlorophenyl)piperidine
• IUPAC Traditional name: 1-(4-bromo-3-chlorophenyl)piperidine
• Synonyms: 1-(4-Bromo-3-chlorophenyl)piperidine

Database IDs

• CAS Number: 1311197-81-5
• PubChem SID: 180675761
• PubChem CID: 54759051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.302146
• LogD (pH = 7.4): 4.304424
• Log P: 4.304453
• Molar Refractivity: 65.0562 cm^3
• Polarizability: 24.613453 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%