2-(4-bromophenyl)piperidine

• ChemBase ID: 813155
• Molecular Formular: C11H14BrN
• Molecular Mass: 240.13956
• Monoisotopic Mass: 239.03096145
• SMILES: C1CCNC(C1)c1ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)C1CCCCN1
• InChI: InChI=1S/C11H14BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-7,11,13H,1-3,8H2
• InChIKey: GHEZGFYJGORZRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)piperidine
• IUPAC Traditional name: 2-(4-bromophenyl)piperidine
• Synonyms: 2-(4-BROMO-PHENYL)-PIPERIDINE

Database IDs

• CAS Number: 383128-14-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.020918496
• LogD (pH = 7.4): 1.0153412
• Log P: 3.2104805
• Molar Refractivity: 58.741 cm^3
• Polarizability: 23.02243 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%