3-(bromomethyl)-1-methylpiperidine

• ChemBase ID: 309427
• Molecular Formular: C7H14BrN
• Molecular Mass: 192.09676
• Monoisotopic Mass: 191.03096145
• SMILES: N1(CC(CBr)CCC1)C
• Canonical SMILES: BrCC1CCCN(C1)C
• InChI: InChI=1S/C7H14BrN/c1-9-4-2-3-7(5-8)6-9/h7H,2-6H2,1H3
• InChIKey: VZYZKPJAXWDZFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)-1-methylpiperidine
• IUPAC Traditional name: 3-(bromomethyl)-1-methylpiperidine
• Synonyms: 3-(bromomethyl)-1-methylpiperidine

Database IDs

• CAS Number: 41886-04-8
• MDL Number: MFCD12024938

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.26486
• LogD (pH = 7.4): 0.49695882
• Log P: 1.5504737
• Molar Refractivity: 44.4661 cm^3
• Polarizability: 17.0981 Å^3
• Polar Surface Area: 3.24 Å^2