ChemSpider 2D Image | 4-Methyl-1-{4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}-1-pentanone | C16H27N3O

4-Methyl-1-{4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}-1-pentanone

  • Molecular FormulaC16H27N3O
  • Average mass277.405 Da
  • Monoisotopic mass277.215424 Da
  • ChemSpider ID22414550

More details:

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

1-Pentanone, 4-methyl-1-[4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl]- [ACD/Index Name]
4-Methyl-1-{4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}-1-pentanon [German] [ACD/IUPAC Name]
4-Methyl-1-{4-[2-(1H-pyrazol-1-yl)ethyl]-1-piperidinyl}-1-pentanone [ACD/IUPAC Name]
4-Méthyl-1-{4-[2-(1H-pyrazol-1-yl)éthyl]-1-pipéridinyl}-1-pentanone [French] [ACD/IUPAC Name]
1-(4-methylpentanoyl)-4-[2-(1H-pyrazol-1-yl)ethyl]piperidine
4-METHYL-1-{4-[2-(1H-PYRAZOL-1-YL)ETHYL]PIPERIDIN-1-YL}PENTAN-1-ONE
4-METHYL-1-{4-[2-(PYRAZOL-1-YL)ETHYL]PIPERIDIN-1-YL}PENTAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 215.2±21.2 °C
Index of Refraction: 1.561
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.45
ACD/KOC (pH 5.5): 976.44
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.51
ACD/KOC (pH 7.4): 976.98
Polar Surface Area: 38 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 255.0±7.0 cm3

Click to predict properties on the Chemicalize site


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