3-[({1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}oxy)methyl]pyridine

• ChemBase ID: 725298
• Molecular Formular: C19H26N4O
• Molecular Mass: 326.43594
• Monoisotopic Mass: 326.21066147
• SMILES: c1(c(n(nc1)C)C1CC1)CN1CC(OCc2cnccc2)CCC1
• Canonical SMILES: Cn1ncc(c1C1CC1)CN1CCCC(C1)OCc1cccnc1
• InChI: InChI=1S/C19H26N4O/c1-22-19(16-6-7-16)17(11-21-22)12-23-9-3-5-18(13-23)24-14-15-4-2-8-20-10-15/h2,4,8,10-11,16,18H,3,5-7,9,12-14H2,1H3
• InChIKey: SDPHGLQTTBLBBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[({1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}oxy)methyl]pyridine
• IUPAC Traditional name: 3-[({1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl}oxy)methyl]pyridine
• Synonyms: 3-[({1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}oxy)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.75227433
• LogD (pH = 7.4): 1.056685
• Log P: 1.891223
• Molar Refractivity: 106.5576 cm^3
• Polarizability: 36.680603 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.48
• LOG S: -0.54
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6