ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{2-[3-(1H-pyrazol-3-yl)phenoxy]ethyl}-1-piperazinecarboxylate | C20H28N4O3

2-Methyl-2-propanyl 4-{2-[3-(1H-pyrazol-3-yl)phenoxy]ethyl}-1-piperazinecarboxylate

  • Molecular FormulaC20H28N4O3
  • Average mass372.461 Da
  • Monoisotopic mass372.216156 Da
  • ChemSpider ID29304640

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[3-(1H-pyrazol-3-yl)phenoxy]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{2-[3-(1H-pyrazol-3-yl)phenoxy]ethyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{2-[3-(1H-pyrazol-3-yl)phenoxy]ethyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{2-[3-(1H-Pyrazol-3-yl)phénoxy]éthyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1308645-70-6 [RN]
1-tert-Butoxycarbonyl-4-[2-(pyrazol-3-yl)phenoxy]ethylpiperazine
1-tert-Butoxycarbonyl-4-[2-(pyrazol-3-yl)phethoxy]ethylpiperazine
MFCD23159168 [MDL number]
tert-butyl 4-(2-(3-(1H-pyrazol-3-yl)phenoxy)ethyl)piperazine-1-carboxylate
tert-butyl 4-[2-[3-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.7±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 22.77
ACD/KOC (pH 5.5): 224.93
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.34
ACD/KOC (pH 7.4): 803.31
Polar Surface Area: 71 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 318.6±3.0 cm3

Click to predict properties on the Chemicalize site


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