ChemSpider 2D Image | 1-{[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-[(1-methyl-4-piperidinyl)methyl]piperazine | C21H30FN5

1-{[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-[(1-methyl-4-piperidinyl)methyl]piperazine

  • Molecular FormulaC21H30FN5
  • Average mass371.495 Da
  • Monoisotopic mass371.248535 Da
  • ChemSpider ID32070032

More details:

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

1-{[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-[(1-methyl-4-piperidinyl)methyl]piperazine [ACD/IUPAC Name]
1-{[3-(3-Fluorophényl)-1H-pyrazol-4-yl]méthyl}-4-[(1-méthyl-4-pipéridinyl)méthyl]pipérazine [French] [ACD/IUPAC Name]
1-{[3-(3-Fluorphenyl)-1H-pyrazol-4-yl]methyl}-4-[(1-methyl-4-piperidinyl)methyl]piperazin [German] [ACD/IUPAC Name]
Piperazine, 1-[[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-[(1-methyl-4-piperidinyl)methyl]- [ACD/Index Name]
1-{[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-[(1-methylpiperidin-4-yl)methyl]piperazine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.3±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.23
Polar Surface Area: 38 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 319.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement