2,2,6,6-tetramethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine

• ChemBase ID: 576304
• Molecular Formular: C17H31N3S
• Molecular Mass: 309.51314
• Monoisotopic Mass: 309.22386901
• SMILES: n1c(c(sc1CCC)CNC1CC(NC(C1)(C)C)(C)C)C
• Canonical SMILES: CCCc1nc(c(s1)CNC1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C17H31N3S/c1-7-8-15-19-12(2)14(21-15)11-18-13-9-16(3,4)20-17(5,6)10-13/h13,18,20H,7-11H2,1-6H3
• InChIKey: SZECOUJPGJJJAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetramethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
• IUPAC Traditional name: 2,2,6,6-tetramethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
• Synonyms: 2,2,6,6-tetramethyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.560054
• LogD (pH = 7.4): -0.58978546
• Log P: 2.760428
• Molar Refractivity: 90.829 cm^3
• Polarizability: 36.0453 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.19
• LOG S: -4.03
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 5