1-(3-bromopropyl)piperidine hydrobromide

• ChemBase ID: 240509
• Molecular Formular: C8H17Br2N
• Molecular Mass: 287.03528
• Monoisotopic Mass: 284.97277355
• SMILES: N1(CCCBr)CCCCC1.Br
• Canonical SMILES: BrCCCN1CCCCC1.Br
• InChI: InChI=1S/C8H16BrN.BrH/c9-5-4-8-10-6-2-1-3-7-10;/h1-8H2;1H
• InChIKey: RWHMRQYPQWJGFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-bromopropyl)piperidine hydrobromide
• IUPAC Traditional name: 1-(3-bromopropyl)piperidine hydrobromide
• Synonyms: 1-(3-bromopropyl)piperidine hydrobromide

Database IDs

• MDL Number: MFCD13176495
• PubChem SID: 164296419
• PubChem CID: 20135772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0481501
• LogD (pH = 7.4): 0.66783565
• Log P: 1.9504805
• Molar Refractivity: 49.3223 cm^3
• Polarizability: 18.915829 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.442

Product Information

• Purity: 95%