2-(2-bromoethyl)-1-methylpiperidine

• ChemBase ID: 308148
• Molecular Formular: C8H16BrN
• Molecular Mass: 206.12334
• Monoisotopic Mass: 205.04661152
• SMILES: N1(C(CCBr)CCCC1)C
• Canonical SMILES: BrCCC1CCCCN1C
• InChI: InChI=1S/C8H16BrN/c1-10-7-3-2-4-8(10)5-6-9/h8H,2-7H2,1H3
• InChIKey: RVFDXBVOOIJCGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971274

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.9946438
• LogD (pH = 7.4): 0.7189602
• Log P: 2.0102475
• Molar Refractivity: 48.9925 cm^3
• Polarizability: 18.915834 Å^3
• Polar Surface Area: 3.24 Å^2