2,2,6,6-tetramethylpiperidine-4-carboxylic acid hydrochloride

• ChemBase ID: 178467
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: C1(CC(NC(C1)(C)C)(C)C)C(=O)O.Cl
• Canonical SMILES: OC(=O)C1CC(C)(C)NC(C1)(C)C.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-9(2)5-7(8(12)13)6-10(3,4)11-9;/h7,11H,5-6H2,1-4H3,(H,12,13);1H
• InChIKey: QSWMAXHNUDWBLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethylpiperidine-4-carboxylic acid hydrochloride
• IUPAC Traditional name: 2,2,6,6-tetramethylpiperidine-4-carboxylic acid hydrochloride
• Synonyms: 2,2,6,6-Tetramethylpiperidine-4-carboxylic Acid Hydrochloride Salt

Database IDs

• CAS Number: 54996-07-5
• PubChem SID: 164234377
• PubChem CID: 46783051

CALCULATED PROPERTIES

• Acid pKa: 4.594326
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2386684
• LogD (pH = 7.4): -1.1975833
• Log P: -1.1976473
• Molar Refractivity: 51.1893 cm^3
• Polarizability: 20.459267 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Off- White Solid
• Melting Point: >320°C

Safety Information

• Storage Condition: -20°C Freezer