4-ethynyl-2,2,6,6-tetramethylpiperidin-4-ol

• ChemBase ID: 120355
• Molecular Formular: C11H19NO
• Molecular Mass: 181.27466
• Monoisotopic Mass: 181.14666423
• SMILES: N1C(CC(C#C)(CC1(C)C)O)(C)C
• Canonical SMILES: C#CC1(O)CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C11H19NO/c1-6-11(13)7-9(2,3)12-10(4,5)8-11/h1,12-13H,7-8H2,2-5H3
• InChIKey: WKHGZAFSCCRZQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethynyl-2,2,6,6-tetramethylpiperidin-4-ol
• IUPAC Traditional name: 4-ethynyl-2,2,6,6-tetramethylpiperidin-4-ol
• Synonyms: 4-ethynyl-2,2,6,6-tetramethylpiperidin-4-ol

Database IDs

• PubChem SID: 162214708
• PubChem CID: 535967

CALCULATED PROPERTIES

• Acid pKa: 13.192189
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5460896
• LogD (pH = 7.4): -1.8212366
• Log P: 0.6713363
• Molar Refractivity: 54.0015 cm^3
• Polarizability: 21.312996 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true