ChemSpider 2D Image | 1-(tert-butoxycarbonyl)-4-(1H-pyrazol-1-yl)-4-piperidinecarboxylic acid | C14H21N3O4

1-(tert-butoxycarbonyl)-4-(1H-pyrazol-1-yl)-4-piperidinecarboxylic acid

  • Molecular FormulaC14H21N3O4
  • Average mass295.334 Da
  • Monoisotopic mass295.153198 Da
  • ChemSpider ID25997325

More details:

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

1-(tert-butoxycarbonyl)-4-(1H-pyrazol-1-yl)-4-piperidinecarboxylic acid
1,4-Piperidinedicarboxylic acid, 4-(1H-pyrazol-1-yl)-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(1H-pyrazol-1-yl)-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-(1H-pyrazol-1-yl)-4-piperidinecarboxylic acid [ACD/IUPAC Name]
Acide 1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-(1H-pyrazol-1-yl)-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
MFCD12197379 [MDL number]
1-(tert-butoxycarbonyl)-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
1-(tert-butoxycarbonyl)-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid(WX160350)
1-(TERT-BUTOXYCARBONYL)-4-(PYRAZOL-1-YL)PIPERIDINE-4-CARBOXYLIC ACID
1-[(tert-butoxy)carbonyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 461.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.2±3.0 kJ/mol
    Flash Point: 233.1±28.7 °C
    Index of Refraction: 1.576
    Molar Refractivity: 77.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): -0.94
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 30.7±0.5 10-24cm3
    Surface Tension: 48.4±7.0 dyne/cm
    Molar Volume: 233.8±7.0 cm3

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