3-chloro-1-ethylpiperidine hydrochloride

• ChemBase ID: 108272
• Molecular Formular: C7H15Cl2N
• Molecular Mass: 184.1067
• Monoisotopic Mass: 183.05815485
• SMILES: Cl.CCN1CCCC(Cl)C1
• Canonical SMILES: CCN1CCCC(C1)Cl.Cl
• InChI: InChI=1S/C7H14ClN.ClH/c1-2-9-5-3-4-7(8)6-9;/h7H,2-6H2,1H3;1H
• InChIKey: GCYLZFFNTNESAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-1-ethylpiperidine hydrochloride
• IUPAC Traditional name: 3-chloro-1-ethylpiperidine hydrochloride
• Synonyms: N-ETHYL-3-CHLOROPIPERIDINE HYDROCHLORIDE

Database IDs

• PubChem SID: 162106145
• PubChem CID: 3084922

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1266073
• LogD (pH = 7.4): 0.63685155
• Log P: 1.6770318
• Molar Refractivity: 41.2912 cm^3
• Polarizability: 16.236706 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206746

MP Biomedicals Rare Chemical collection