ChemSpider 2D Image | tert-Butyl 3-(1H-pyrazol-3-yl)piperidine-1-carboxylate | C13H21N3O2

tert-Butyl 3-(1H-pyrazol-3-yl)piperidine-1-carboxylate

  • Molecular FormulaC13H21N3O2
  • Average mass251.325 Da
  • Monoisotopic mass251.163376 Da
  • ChemSpider ID27547807

More details:

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

1188264-16-5 [RN]
1-Piperidinecarboxylic acid, 3-(1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(1H-pyrazol-3-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(1H-pyrazol-3-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-(1H-Pyrazol-3-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 3-(1H-pyrazol-3-yl)piperidine-1-carboxylate
DS-4892
MFCD13152063 [MDL number]
RNKABFNMJPBYKN-UHFFFAOYSA-N
tert-Butyl 3-(1H-pyrazol-5-yl)piperidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    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: 1.72
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 49.41
    ACD/KOC (pH 5.5): 566.41
    ACD/LogD (pH 7.4): 2.54
    ACD/BCF (pH 7.4): 49.76
    ACD/KOC (pH 7.4): 570.45
    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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