2-(2-bromoethyl)-1-methylpiperidine hydrobromide

• ChemBase ID: 143716
• Molecular Formular: C8H17Br2N
• Molecular Mass: 287.03528
• Monoisotopic Mass: 284.97277355
• SMILES: CN1CCCCC1CCBr.Br
• Canonical SMILES: BrCCC1CCCCN1C.Br
• InChI: InChI=1S/C8H16BrN.BrH/c1-10-7-3-2-4-8(10)5-6-9;/h8H,2-7H2,1H3;1H
• InChIKey: PYOYPRZOFTXHRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09864560
• PubChem SID: 162237933
• PubChem CID: 53398830

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
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H17Br2N

DETAILS

Sigma Aldrich - CBR00713

Other Notes
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Legal Information
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