ChemSpider 2D Image | 1-(4-Fluoro-2-methylbenzyl)-3-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidine | C21H30FN5

1-(4-Fluoro-2-methylbenzyl)-3-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidine

  • Molecular FormulaC21H30FN5
  • Average mass371.495 Da
  • Monoisotopic mass371.248535 Da
  • ChemSpider ID29686006

More details:

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

1-(4-Fluor-2-methylbenzyl)-3-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidin [German] [ACD/IUPAC Name]
1-(4-Fluoro-2-methylbenzyl)-3-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]piperidine [ACD/IUPAC Name]
1-(4-Fluoro-2-méthylbenzyl)-3-[4-méthyl-5-(1-pyrrolidinylméthyl)-4H-1,2,4-triazol-3-yl]pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(4-fluoro-2-methylphenyl)methyl]-3-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]- [ACD/Index Name]
1-(4-fluoro-2-methylbenzyl)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 270.0±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 106.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 5.39
ACD/KOC (pH 7.4): 48.65
Polar Surface Area: 37 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 299.4±7.0 cm3

Click to predict properties on the Chemicalize site


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