ChemSpider 2D Image | 1-(4-Ethyl-5-{1-[(1-methyl-1H-indol-2-yl)methyl]-4-piperidinyl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine | C22H32N6

1-(4-Ethyl-5-{1-[(1-methyl-1H-indol-2-yl)methyl]-4-piperidinyl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

  • Molecular FormulaC22H32N6
  • Average mass380.530 Da
  • Monoisotopic mass380.268860 Da
  • ChemSpider ID30944870

More details:

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

1-(4-Ethyl-5-{1-[(1-methyl-1H-indol-2-yl)methyl]-4-piperidinyl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamin [German] [ACD/IUPAC Name]
1-(4-Ethyl-5-{1-[(1-methyl-1H-indol-2-yl)methyl]-4-piperidinyl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine [ACD/IUPAC Name]
1-(4-Éthyl-5-{1-[(1-méthyl-1H-indol-2-yl)méthyl]-4-pipéridinyl}-4H-1,2,4-triazol-3-yl)-N,N-diméthylméthanamine [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-methanamine, 4-ethyl-N,N-dimethyl-5-[1-[(1-methyl-1H-indol-2-yl)methyl]-4-piperidinyl]- [ACD/Index Name]
1-(4-ethyl-5-{1-[(1-methyl-1H-indol-2-yl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 562.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.7±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 24.91
Polar Surface Area: 42 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 321.6±7.0 cm3

Click to predict properties on the Chemicalize site


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