2-(2,2,6,6-tetramethylpiperidin-4-yl)ethan-1-ol

• ChemBase ID: 12662
• Molecular Formular: C11H23NO
• Molecular Mass: 185.30642
• Monoisotopic Mass: 185.17796436
• SMILES: C1C(NC(CC1CCO)(C)C)(C)C
• Canonical SMILES: OCCC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C11H23NO/c1-10(2)7-9(5-6-13)8-11(3,4)12-10/h9,12-13H,5-8H2,1-4H3
• InChIKey: COEGBCJIXOPJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethan-1-ol
• IUPAC Traditional name: 2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanol
• Synonyms: 2-(2,2,6,6-Tetramethyl-piperidin-4-yl)-ethanol

Database IDs

• CAS Number: 28310-50-1
• MDL Number: MFCD01571827
• PubChem SID: 160975969
• PubChem CID: 598333

CALCULATED PROPERTIES

• Acid pKa: 17.086544
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8906804
• LogD (pH = 7.4): -1.6274565
• Log P: 1.3467002
• Molar Refractivity: 56.0277 cm^3
• Polarizability: 22.414919 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false