2-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 687806
• Molecular Formular: C15H20F3N3
• Molecular Mass: 299.3346096
• Monoisotopic Mass: 299.16093232
• SMILES: c1(N2CC3(CC2)CNCCC3)nc(cc(C(F)(F)F)c1)C
• Canonical SMILES: Cc1nc(cc(c1)C(F)(F)F)N1CCC2(C1)CCCNC2
• InChI: InChI=1S/C15H20F3N3/c1-11-7-12(15(16,17)18)8-13(20-11)21-6-4-14(10-21)3-2-5-19-9-14/h7-8,19H,2-6,9-10H2,1H3
• InChIKey: VDYUVMZWGXZARS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8858557
• LogD (pH = 7.4): -0.051980197
• Log P: 2.6320279
• Molar Refractivity: 76.6953 cm^3
• Polarizability: 28.180716 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.2
• LOG S: -3.11
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1