2-(2-bromoethyl)piperidine hydrobromide

• ChemBase ID: 143717
• Molecular Formular: C7H15Br2N
• Molecular Mass: 273.0087
• Monoisotopic Mass: 270.95712349
• SMILES: C1CCNC(C1)CCBr.Br
• Canonical SMILES: BrCCC1CCCCN1.Br
• InChI: InChI=1S/C7H14BrN.BrH/c8-5-4-7-3-1-2-6-9-7;/h7,9H,1-6H2;1H
• InChIKey: FAMIYBHSLOMXQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12031713
• PubChem SID: 162237934
• PubChem CID: 53398831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.56274
• LogD (pH = 7.4): -0.5709524
• Log P: 1.6271995
• Molar Refractivity: 43.6978 cm^3
• Polarizability: 17.097967 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H15Br2N

DETAILS

Sigma Aldrich - CBR00714

Other Notes
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