2-(bromomethyl)-1-methylpiperidine

• ChemBase ID: 309777
• Molecular Formular: C7H14BrN
• Molecular Mass: 192.09676
• Monoisotopic Mass: 191.03096145
• SMILES: N1(C(CBr)CCCC1)C
• Canonical SMILES: BrCC1CCCCN1C
• InChI: InChI=1S/C7H14BrN/c1-9-5-3-2-4-7(9)6-8/h7H,2-6H2,1H3
• InChIKey: HCUCPVSXWXKPQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-1-methylpiperidine
• IUPAC Traditional name: 2-(bromomethyl)-1-methylpiperidine
• Synonyms: 2-(bromomethyl)-1-methylpiperidine

Database IDs

• CAS Number: 1011407-28-5
• MDL Number: MFCD10037664

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.4342574
• LogD (pH = 7.4): 1.3182232
• Log P: 1.9502878
• Molar Refractivity: 44.1271 cm^3
• Polarizability: 17.098726 Å^3
• Polar Surface Area: 3.24 Å^2