ChemSpider 2D Image | tert-butyl 4-[(3-bromo-2-oxo-1,2-dihydropyridin-1-yl)methyl]piperidine-1-carboxylate | C16H23BrN2O3

tert-butyl 4-[(3-bromo-2-oxo-1,2-dihydropyridin-1-yl)methyl]piperidine-1-carboxylate

  • Molecular FormulaC16H23BrN2O3
  • Average mass371.269 Da
  • Monoisotopic mass370.089203 Da
  • ChemSpider ID22504753

More details:

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

1065075-65-1 [RN]
1-Piperidinecarboxylic acid, 4-[(3-bromo-2-oxo-1(2H)-pyridinyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(3-bromo-2-oxo-1(2H)-pyridinyl)methyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(3-brom-2-oxo-1(2H)-pyridinyl)methyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[(3-Bromo-2-oxo-1(2H)-pyridinyl)méthyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-[(3-bromo-2-oxo-1,2-dihydropyridin-1-yl)methyl]piperidine-1-carboxylate
MFCD11100922
TERT-BUTYL 4-((3-BROMO-2-OXOPYRIDIN-1(2H)-YL)METHYL)PIPERIDINE-1-CARBOXYLATE
TERT-BUTYL 4-[(3-BROMO-2-OXOPYRIDIN-1-YL)METHYL]PIPERIDINE-1-CARBOXYLATE

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 475.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.9±3.0 kJ/mol
    Flash Point: 241.5±24.6 °C
    Index of Refraction: 1.561
    Molar Refractivity: 87.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.42
    ACD/KOC (pH 5.5): 474.08
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.42
    ACD/KOC (pH 7.4): 474.08
    Polar Surface Area: 50 Å2
    Polarizability: 34.8±0.5 10-24cm3
    Surface Tension: 47.9±3.0 dyne/cm
    Molar Volume: 271.3±3.0 cm3

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