2-{[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol

• ChemBase ID: 16673
• Molecular Formular: C16H26N2O
• Molecular Mass: 262.39044
• Monoisotopic Mass: 262.20451346
• SMILES: C1(NCc2c(cccc2)O)CC(NC(C1)(C)C)(C)C
• Canonical SMILES: Oc1ccccc1CNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C16H26N2O/c1-15(2)9-13(10-16(3,4)18-15)17-11-12-7-5-6-8-14(12)19/h5-8,13,17-19H,9-11H2,1-4H3
• InChIKey: ISXGYJNEVXELQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol
• IUPAC Traditional name: 2-{[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl}phenol
• Synonyms: 2-[(2,2,6,6-Tetramethyl-piperidin-4-ylamino)-methyl]-phenol

Database IDs

• MDL Number: MFCD02921741
• PubChem SID: 160979980
• PubChem CID: 566707

CALCULATED PROPERTIES

• Acid pKa: 7.9679747
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.661665
• LogD (pH = 7.4): -0.9395703
• Log P: 1.0756083
• Molar Refractivity: 79.5573 cm^3
• Polarizability: 31.697933 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false