ChemSpider 2D Image | tert-butyl 4-[3-cyano-6-(propan-2-yl)pyridin-2-yl]piperazine-1-carboxylate | C18H26N4O2

tert-butyl 4-[3-cyano-6-(propan-2-yl)pyridin-2-yl]piperazine-1-carboxylate

  • Molecular FormulaC18H26N4O2
  • Average mass330.425 Da
  • Monoisotopic mass330.205566 Da
  • ChemSpider ID25076948

More details:

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

1221792-09-1 [RN]
1-Piperazinecarboxylic acid, 4-[3-cyano-6-(1-methylethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-cyano-6-isopropyl-2-pyridinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-cyan-6-isopropyl-2-pyridinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-Cyano-6-isopropyl-2-pyridinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-[3-cyano-6-(propan-2-yl)pyridin-2-yl]piperazine-1-carboxylate
MFCD14584849 [MDL number]
ND-0229
tert-Butyl 4-(3-cyano-6-isopropyl-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxylate
tert-Butyl 4-(3-cyano-6-isopropyl-2-pyridinyl)-tetrahydro-1(2H)-pyrazinecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 476.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±3.0 kJ/mol
    Flash Point: 241.8±28.7 °C
    Index of Refraction: 1.556
    Molar Refractivity: 92.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.46
    ACD/LogD (pH 5.5): 2.90
    ACD/BCF (pH 5.5): 78.94
    ACD/KOC (pH 5.5): 645.53
    ACD/LogD (pH 7.4): 3.21
    ACD/BCF (pH 7.4): 161.20
    ACD/KOC (pH 7.4): 1318.22
    Polar Surface Area: 69 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 51.6±5.0 dyne/cm
    Molar Volume: 286.8±5.0 cm3

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