ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate | C14H22BrN3O2

2-Methyl-2-propanyl 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate

  • Molecular FormulaC14H22BrN3O2
  • Average mass344.247 Da
  • Monoisotopic mass343.089539 Da
  • ChemSpider ID26526076

More details:

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

1-Piperidinecarboxylic acid, 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-brom-5-methyl-1H-pyrazol-1-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(4-Bromo-5-méthyl-1H-pyrazol-1-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1076223-99-8 [RN]
1092500-89-4 [RN]
tert-butyl 4-(4-bromo-5-methyl-1H-pyrazol-1-yl)piperidine-1-carboxylate
tert-Butyl 4-(4-bromo-5-methylpyrazol-1-yl)piperidine-1-carboxylate
tert-Butyl 4-(4-bromo-5-methyl-pyrazol-1-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: 422.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 209.1±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: 3.08
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 231.05
ACD/KOC (pH 5.5): 1712.13
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 231.07
ACD/KOC (pH 7.4): 1712.28
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

Click to predict properties on the Chemicalize site


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