4-chloro-2,2,6,6-tetramethylpiperidine hydrochloride

• ChemBase ID: 83499
• Molecular Formular: C9H19Cl2N
• Molecular Mass: 212.15986
• Monoisotopic Mass: 211.08945497
• SMILES: N1C(CC(CC1(C)C)Cl)(C)C.Cl
• Canonical SMILES: ClC1CC(C)(C)NC(C1)(C)C.Cl
• InChI: InChI=1S/C9H18ClN.ClH/c1-8(2)5-7(10)6-9(3,4)11-8;/h7,11H,5-6H2,1-4H3;1H
• InChIKey: MCYPZCNAVBMNQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,2,6,6-tetramethylpiperidine hydrochloride
• IUPAC Traditional name: 4-chloro-2,2,6,6-tetramethylpiperidine hydrochloride
• Synonyms: 4-Chloro-2,2,6,6-tetramethylpiperidine hydrochloride

Database IDs

• MDL Number: MFCD00102057
• PubChem SID: 162070617
• PubChem CID: 2780400

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.342638
• LogD (pH = 7.4): -0.608021
• Log P: 1.8740764
• Molar Refractivity: 49.5827 cm^3
• Polarizability: 19.918442 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful