2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine

• ChemBase ID: 13476
• Molecular Formular: C15H25N3
• Molecular Mass: 247.3791
• Monoisotopic Mass: 247.20484782
• SMILES: c1ncc(cc1)CNC1CC(NC(C1)(C)C)(C)C
• Canonical SMILES: CC1(C)CC(NCc2cccnc2)CC(N1)(C)C
• InChI: InChI=1S/C15H25N3/c1-14(2)8-13(9-15(3,4)18-14)17-11-12-6-5-7-16-10-12/h5-7,10,13,17-18H,8-9,11H2,1-4H3
• InChIKey: XOAGOZCLOXAUSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
• Synonyms: Pyridin-3-ylmethyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amine

Database IDs

• MDL Number: MFCD03725046
• PubChem SID: 160976783
• PubChem CID: 646877

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1648216
• LogD (pH = 7.4): -2.154293
• Log P: 1.3519838
• Molar Refractivity: 75.4195 cm^3
• Polarizability: 30.201767 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false