1-(2-bromophenyl)piperidine

• ChemBase ID: 796563
• Molecular Formular: C11H14BrN
• Molecular Mass: 240.13956
• Monoisotopic Mass: 239.03096145
• SMILES: C1CCN(CC1)c1c(cccc1)Br
• Canonical SMILES: Brc1ccccc1N1CCCCC1
• InChI: InChI=1S/C11H14BrN/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2
• InChIKey: ULDSFDQNVQGLCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-bromophenyl)piperidine
• IUPAC Traditional name: 1-(2-bromophenyl)piperidine
• Synonyms: 1-(2-BroMophenyl)piperidine

Database IDs

• CAS Number: 156808-79-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6999505
• LogD (pH = 7.4): 3.7004027
• Log P: 3.7004085
• Molar Refractivity: 60.2514 cm^3
• Polarizability: 22.662886 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%