ChemSpider 2D Image | tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate | C13H21N3O2

tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate

  • Molecular FormulaC13H21N3O2
  • Average mass251.325 Da
  • Monoisotopic mass251.163376 Da
  • ChemSpider ID27547810

More details:

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

1-Piperidinecarboxylic acid, 4-(1H-pyrazol-4-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
278798-15-5 [RN]
2-Methyl-2-propanyl 4-(1H-pyrazol-4-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(1H-pyrazol-4-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(1H-Pyrazol-4-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
AKOS023120611
BS-16355
carboxylate [Wiki]
MFCD18073242
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 405.7±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.7±3.0 kJ/mol
    Flash Point: 199.2±26.8 °C
    Index of Refraction: 1.533
    Molar Refractivity: 68.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.05
    ACD/KOC (pH 5.5): 563.59
    ACD/LogD (pH 7.4): 2.53
    ACD/BCF (pH 7.4): 49.38
    ACD/KOC (pH 7.4): 567.37
    Polar Surface Area: 58 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 220.4±3.0 cm3

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