1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one

• ChemBase ID: 304764
• Molecular Formular: C12H23NO2
• Molecular Mass: 213.31652
• Monoisotopic Mass: 213.17287898
• SMILES: C1C(NC(CC1(O)CC(=O)C)(C)C)(C)C
• Canonical SMILES: CC(=O)CC1(O)CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C12H23NO2/c1-9(14)6-12(15)7-10(2,3)13-11(4,5)8-12/h13,15H,6-8H2,1-5H3
• InChIKey: DDRVPWBMTDQBFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
• IUPAC Traditional name: 1-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propan-2-one
• Synonyms: Tetraacetonamine B

Database IDs

• CAS Number: N

CALCULATED PROPERTIES

• Acid pKa: 14.474752
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.729463
• LogD (pH = 7.4): -2.0033872
• Log P: 0.48787478
• Molar Refractivity: 60.7564 cm^3
• Polarizability: 24.319872 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder