1-(5-chloropentyl)piperidine hydrochloride

• ChemBase ID: 273259
• Molecular Formular: C10H21Cl2N
• Molecular Mass: 226.18644
• Monoisotopic Mass: 225.10510504
• SMILES: N1(CCCCCCl)CCCCC1.Cl
• Canonical SMILES: ClCCCCCN1CCCCC1.Cl
• InChI: InChI=1S/C10H20ClN.ClH/c11-7-3-1-4-8-12-9-5-2-6-10-12;/h1-10H2;1H
• InChIKey: QGNSAPOYVCDCFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-chloropentyl)piperidine hydrochloride
• IUPAC Traditional name: 1-(5-chloropentyl)piperidine hydrochloride
• Synonyms: 1-(5-chloropentyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD18483304
• PubChem SID: 164329169
• PubChem CID: 54592790

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.55218345
• LogD (pH = 7.4): 0.95165944
• Log P: 2.7269166
• Molar Refractivity: 55.5844 cm^3
• Polarizability: 21.759768 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 3.21

Product Information

• Purity: 95%