4-(bromomethyl)piperidine hydrobromide

• ChemBase ID: 90486
• Molecular Formular: C6H13Br2N
• Molecular Mass: 258.98212
• Monoisotopic Mass: 256.94147342
• SMILES: N1CCC(CC1)CBr.Br
• Canonical SMILES: BrCC1CCNCC1.Br
• InChI: InChI=1S/C6H12BrN.BrH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
• InChIKey: YQNLBRMAXPPMNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)piperidine hydrobromide
• IUPAC Traditional name: 4-(bromomethyl)piperidine hydrobromide
• Synonyms: 4-(Bromomethyl)piperidine hydrobromide

Database IDs

• CAS Number: 65920-56-1
• PubChem SID: 162077286
• PubChem CID: 13503217

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1056623
• LogD (pH = 7.4): -1.6478211
• Log P: 1.125869
• Molar Refractivity: 39.2702 cm^3
• Polarizability: 15.285396 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful