4-(bromomethyl)-1-methylpiperidine

• ChemBase ID: 309287
• Molecular Formular: C7H14BrN
• Molecular Mass: 192.09676
• Monoisotopic Mass: 191.03096145
• SMILES: N1(CCC(CC1)CBr)C
• Canonical SMILES: BrCC1CCN(CC1)C
• InChI: InChI=1S/C7H14BrN/c1-9-4-2-7(6-8)3-5-9/h7H,2-6H2,1H3
• InChIKey: NLKNLIQTGLPTHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)-1-methylpiperidine
• IUPAC Traditional name: 4-(bromomethyl)-1-methylpiperidine
• Synonyms: 4-(bromomethyl)-1-methylpiperidine

Database IDs

• CAS Number: 100613-97-6
• MDL Number: MFCD17078855

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0092424
• LogD (pH = 7.4): 0.7599281
• Log P: 1.508917
• Molar Refractivity: 44.5649 cm^3
• Polarizability: 17.098078 Å^3
• Polar Surface Area: 3.24 Å^2