1-(2-bromoethyl)piperidine hydrobromide

• ChemBase ID: 273315
• Molecular Formular: C7H15Br2N
• Molecular Mass: 273.0087
• Monoisotopic Mass: 270.95712349
• SMILES: N1(CCBr)CCCCC1.Br
• Canonical SMILES: BrCCN1CCCCC1.Br
• InChI: InChI=1S/C7H14BrN.BrH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
• InChIKey: RIOIXQFVMBDUGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00463352
• PubChem SID: 164329225
• PubChem CID: 12440783

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.4856861
• LogD (pH = 7.4): 1.2653753
• Log P: 1.8905207
• Molar Refractivity: 44.4569 cm^3
• Polarizability: 17.098583 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214 - 216°C
• Hydrophobicity(logP): 2.113

Product Information

• Purity: 95%