ChemSpider 2D Image | 1-{4-Cyclopropyl-5-[1-(4-fluoro-3-methylbenzyl)-4-piperidinyl]-4H-1,2,4-triazol-3-yl}-N,N-dimethylmethanamine | C21H30FN5

1-{4-Cyclopropyl-5-[1-(4-fluoro-3-methylbenzyl)-4-piperidinyl]-4H-1,2,4-triazol-3-yl}-N,N-dimethylmethanamine

  • Molecular FormulaC21H30FN5
  • Average mass371.495 Da
  • Monoisotopic mass371.248535 Da
  • ChemSpider ID29736590

More details:

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

1-{4-Cyclopropyl-5-[1-(4-fluor-3-methylbenzyl)-4-piperidinyl]-4H-1,2,4-triazol-3-yl}-N,N-dimethylmethanamin [German] [ACD/IUPAC Name]
1-{4-Cyclopropyl-5-[1-(4-fluoro-3-methylbenzyl)-4-piperidinyl]-4H-1,2,4-triazol-3-yl}-N,N-dimethylmethanamine [ACD/IUPAC Name]
1-{4-Cyclopropyl-5-[1-(4-fluoro-3-méthylbenzyl)-4-pipéridinyl]-4H-1,2,4-triazol-3-yl}-N,N-diméthylméthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, 4-cyclopropyl-5-[1-[(4-fluoro-3-methylphenyl)methyl]-4-piperidinyl]-N,N-dimethyl- [ACD/Index Name]
({4-cyclopropyl-5-[1-(4-fluoro-3-methylbenzyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.4±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 106.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 12.90
ACD/KOC (pH 7.4): 141.67
Polar Surface Area: 37 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 298.6±7.0 cm3

Click to predict properties on the Chemicalize site


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