4-chloropiperidine hydrochloride

• ChemBase ID: 70783
• Molecular Formular: C5H11Cl2N
• Molecular Mass: 156.05354
• Monoisotopic Mass: 155.02685472
• SMILES: N1CCC(CC1)Cl.Cl
• Canonical SMILES: ClC1CCNCC1.Cl
• InChI: InChI=1S/C5H10ClN.ClH/c6-5-1-3-7-4-2-5;/h5,7H,1-4H2;1H
• InChIKey: RDRWTVLHSXAFGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropiperidine hydrochloride
• IUPAC Traditional name: 4-chloropiperidine hydrochloride
• Synonyms: 4-Chloropiperidine hydrochloride; 4-Chloro-piperidine hydrochloride

Database IDs

• CAS Number: 5382-19-4
• MDL Number: MFCD03411587
• PubChem SID: 162036493
• PubChem CID: 20505836

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7080712
• LogD (pH = 7.4): -1.7018896
• Log P: 0.47977298
• Molar Refractivity: 31.4687 cm^3
• Polarizability: 12.560252 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%