ChemSpider 2D Image | trans-3-(4-Ethyl-5-{[4-(2-fluorobenzyl)-1-piperidinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine | C21H30FN5

trans-3-(4-Ethyl-5-{[4-(2-fluorobenzyl)-1-piperidinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine

  • Molecular FormulaC21H30FN5
  • Average mass371.495 Da
  • Monoisotopic mass371.248535 Da
  • ChemSpider ID35085696

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclobutanamine, 3-[4-ethyl-5-[[4-[(2-fluorophenyl)methyl]-1-piperidinyl]methyl]-4H-1,2,4-triazol-3-yl]-, trans- [ACD/Index Name]
trans-3-(4-Ethyl-5-{[4-(2-fluorbenzyl)-1-piperidinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamin [German] [ACD/IUPAC Name]
trans-3-(4-Ethyl-5-{[4-(2-fluorobenzyl)-1-piperidinyl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine [ACD/IUPAC Name]
trans-3-(4-Éthyl-5-{[4-(2-fluorobenzyl)-1-pipéridinyl]méthyl}-4H-1,2,4-triazol-3-yl)cyclobutanamine [French] [ACD/IUPAC Name]
[trans-3-(4-ethyl-5-{[4-(2-fluorobenzyl)piperidin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.5±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): -1.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 60 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 286.3±7.0 cm3

Click to predict properties on the Chemicalize site


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