ChemSpider 2D Image | tert-Butyl 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate | C14H22BrN3O2

tert-Butyl 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID29314748

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1401304-41-3 [RN]
1-Piperidinecarboxylic acid, 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(4-brom-1-methyl-1H-pyrazol-5-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-(4-Bromo-1-méthyl-1H-pyrazol-5-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(4-bromo-1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
MFCD22690820 [MDL number]
tert-butyl 3-(4-bromo-2-methylpyrazol-3-yl)piperidine-1-carboxylate
Tert-butyl3-(4-bromo-1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 411.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.4±3.0 kJ/mol
    Flash Point: 202.6±28.7 °C
    Index of Refraction: 1.587
    Molar Refractivity: 82.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 3.28
    ACD/BCF (pH 5.5): 182.77
    ACD/KOC (pH 5.5): 1447.72
    ACD/LogD (pH 7.4): 3.28
    ACD/BCF (pH 7.4): 182.78
    ACD/KOC (pH 7.4): 1447.74
    Polar Surface Area: 47 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 42.4±7.0 dyne/cm
    Molar Volume: 245.5±7.0 cm3

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