ChemSpider 2D Image | 1,1-Dimethylethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinecarboxylate | C17H24N4O2

1,1-Dimethylethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinecarboxylate

  • Molecular FormulaC17H24N4O2
  • Average mass316.398 Da
  • Monoisotopic mass316.189911 Da
  • ChemSpider ID29313820

More details:

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

1,1-Dimethylethyl 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinecarboxylate
1065100-86-8 [RN]
1-Piperazinecarboxylic acid, 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(1H-Pyrrolo[2,3-b]pyridin-3-ylméthyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Boc-4-((1H-Pyrrolo[2,3-b]pyridin-3-yl)methyl)piperazine
CG-0207
MFCD11054205 [MDL number]
tert-Butyl 4-((1H-pyrrolo[2,3-b]pyridin-3-yl)methyl)piperazine-1-carboxylate
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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:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.609
    Molar Refractivity: 89.9±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 9.66
    ACD/KOC (pH 5.5): 105.22
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 56.07
    ACD/KOC (pH 7.4): 610.69
    Polar Surface Area: 61 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 56.2±3.0 dyne/cm
    Molar Volume: 259.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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