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

tert-butyl 4-((4-bromo-1H-pyrazol-1-yl)methyl)piperidine-1-carboxylate

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID34211153

More details:

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

1-Piperidinecarboxylic acid, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-brom-1H-pyrazol-1-yl)methyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(4-Bromo-1H-pyrazol-1-yl)méthyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
877401-26-8 [RN]
tert-butyl 4-((4-bromo-1H-pyrazol-1-yl)methyl)piperidine-1-carboxylate
1-Piperidinecarboxylic acid, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-,1,1-dimethylethyl ester
CC(C)(C)OC(=O)N1CCC(CN2C=C(Br)C=N2)CC1
MFCD22381936
t-Butyl 4-[(4-bromo-1H-pyrazol-1-yl)methyl]piperidine-1-carboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 419.0±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.3±3.0 kJ/mol
    Flash Point: 207.2±20.4 °C
    Index of Refraction: 1.586
    Molar Refractivity: 82.7±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): 3.23
    ACD/BCF (pH 5.5): 169.26
    ACD/KOC (pH 5.5): 1370.28
    ACD/LogD (pH 7.4): 3.23
    ACD/BCF (pH 7.4): 169.26
    ACD/KOC (pH 7.4): 1370.28
    Polar Surface Area: 47 Å2
    Polarizability: 32.8±0.5 10-24cm3
    Surface Tension: 43.8±7.0 dyne/cm
    Molar Volume: 246.4±7.0 cm3

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