1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl}-2-methylpiperidine

• ChemBase ID: 451414
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: c1(c(n(nc1)C)C)CN1CC(N2C(C)CCCC2)C1
• Canonical SMILES: CC1CCCCN1C1CN(C1)Cc1cnn(c1C)C
• InChI: InChI=1S/C15H26N4/c1-12-6-4-5-7-19(12)15-10-18(11-15)9-14-8-16-17(3)13(14)2/h8,12,15H,4-7,9-11H2,1-3H3
• InChIKey: SIBJDFIPYPYKTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl}-2-methylpiperidine
• IUPAC Traditional name: 1-{1-[(1,5-dimethylpyrazol-4-yl)methyl]azetidin-3-yl}-2-methylpiperidine
• Synonyms: 1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-azetidinyl}-2-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3896061
• LogD (pH = 7.4): 0.27582303
• Log P: 1.7158917
• Molar Refractivity: 90.9349 cm^3
• Polarizability: 30.672943 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.75
• LOG S: -0.75
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 3