4-(3-bromophenyl)piperidine hydrochloride

• ChemBase ID: 804075
• Molecular Formular: C11H15BrClN
• Molecular Mass: 276.6005
• Monoisotopic Mass: 275.00763917
• SMILES: Cl.C1(CCNCC1)c1cc(ccc1)Br
• Canonical SMILES: Brc1cccc(c1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H14BrN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-3,8-9,13H,4-7H2;1H
• InChIKey: ASSSYFRUQWDFMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-bromophenyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-bromophenyl)piperidine hydrochloride
• Synonyms: 4-(3-BROMO-PHENYL)-PIPERIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 1159825-25-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3743915
• LogD (pH = 7.4): 0.29022565
• Log P: 2.8470633
• Molar Refractivity: 59.1018 cm^3
• Polarizability: 22.951708 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%