ChemSpider 2D Image | 1,1-Dimethylethyl 3-[[(3-cyano-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate | C17H24N4O2

1,1-Dimethylethyl 3-[[(3-cyano-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate

  • Molecular FormulaC17H24N4O2
  • Average mass316.398 Da
  • Monoisotopic mass316.189911 Da
  • ChemSpider ID27457288

More details:

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

1,1-Dimethylethyl 3-[[(3-cyano-2-pyridinyl)amino]methyl]-1-piperidinecarboxylate
1-Piperidinecarboxylic acid, 3-[[(3-cyano-2-pyridinyl)amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{[(3-cyano-2-pyridinyl)amino]methyl}-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{[(3-cyan-2-pyridinyl)amino]methyl}-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-{[(3-Cyano-2-pyridinyl)amino]méthyl}-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
939986-21-7 [RN]
3-[(3-Cyano-pyridin-2-ylamino)-meth; yl]-piperidine-1-carboxylic acid tert-butyl ester
3-[(3-Cyano-pyridin-2-ylamino)-methyl ]-piperidine-1-carboxylic acid tert-butyl ester
3-[(3-Cyanopyridin-2-ylamino)methyl]piperidine-1-carboxylic acid tert-butyl ester
3-[(3-Cyano-pyridin-2-ylamino)-methyl]piperidine-1-carboxylic acid tert-butyl ester
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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: 477.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±3.0 kJ/mol
    Flash Point: 242.7±24.6 °C
    Index of Refraction: 1.555
    Molar Refractivity: 87.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.64
    ACD/LogD (pH 5.5): 3.11
    ACD/BCF (pH 5.5): 135.92
    ACD/KOC (pH 5.5): 1169.29
    ACD/LogD (pH 7.4): 3.11
    ACD/BCF (pH 7.4): 136.69
    ACD/KOC (pH 7.4): 1175.86
    Polar Surface Area: 78 Å2
    Polarizability: 34.6±0.5 10-24cm3
    Surface Tension: 52.4±5.0 dyne/cm
    Molar Volume: 272.3±5.0 cm3

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