ChemSpider 2D Image | 2-[4-{[3-(2,5-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol | C26H41N5O

2-[4-{[3-(2,5-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol

  • Molecular FormulaC26H41N5O
  • Average mass439.637 Da
  • Monoisotopic mass439.331116 Da
  • ChemSpider ID22412196

More details:

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

2-[4-{[3-(2,5-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol [ACD/IUPAC Name]
2-[4-{[3-(2,5-Dimethylphenyl)-1H-pyrazol-4-yl]methyl}-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol [German] [ACD/IUPAC Name]
2-[4-{[3-(2,5-Diméthylphényl)-1H-pyrazol-4-yl]méthyl}-1-(1-isopropyl-4-pipéridinyl)-2-pipérazinyl]éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[[3-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-[1-(1-methylethyl)-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.1±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 130.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.11
Polar Surface Area: 59 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 394.6±3.0 cm3

Click to predict properties on the Chemicalize site


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