2,2,6,6-tetramethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine

• ChemBase ID: 13474
• Molecular Formular: C17H28N2
• Molecular Mass: 260.41762
• Monoisotopic Mass: 260.22524891
• SMILES: c1ccc(c(c1)CNC1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: Cc1ccccc1CNC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C17H28N2/c1-13-8-6-7-9-14(13)12-18-15-10-16(2,3)19-17(4,5)11-15/h6-9,15,18-19H,10-12H2,1-5H3
• InChIKey: LXEUJBRCXJNTFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
• Synonyms: (2-Methyl-benzyl)-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine

Database IDs

• MDL Number: MFCD03725044
• PubChem SID: 160976781
• PubChem CID: 1082631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7529163
• LogD (pH = 7.4): -0.7732833
• Log P: 3.0830777
• Molar Refractivity: 82.6176 cm^3
• Polarizability: 32.907177 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false