4-(4-bromophenyl)piperidine hydrochloride

• ChemBase ID: 70942
• Molecular Formular: C11H15BrClN
• Molecular Mass: 276.6005
• Monoisotopic Mass: 275.00763917
• SMILES: N1CCC(CC1)c1ccc(cc1)Br.Cl
• Canonical SMILES: Brc1ccc(cc1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H14BrN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
• InChIKey: FCMJVILUJPTBAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 769944-79-8
• MDL Number: MFCD08461756
• PubChem SID: 162036650
• PubChem CID: 44630758

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.37478992
• LogD (pH = 7.4): 0.28335318
• Log P: 2.8470633
• Molar Refractivity: 59.1018 cm^3
• Polarizability: 22.951576 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%