ChemSpider 2D Image | 1-[3-(3,4-Dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine | C25H38N4O3

1-[3-(3,4-Dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine

  • Molecular FormulaC25H38N4O3
  • Average mass442.594 Da
  • Monoisotopic mass442.294403 Da
  • ChemSpider ID22242970

More details:

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

1,2,4-Oxadiazole-5-methanamine, 3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-N-[[1-(1-piperidinyl)cyclohexyl]methyl]- [ACD/Index Name]
1-[3-(3,4-Dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamin [German] [ACD/IUPAC Name]
1-[3-(3,4-Dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}methanamine [ACD/IUPAC Name]
1-[3-(3,4-Diméthoxybenzyl)-1,2,4-oxadiazol-5-yl]-N-méthyl-N-{[1-(1-pipéridinyl)cyclohexyl]méthyl}méthanamine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.3±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 8.75
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 206.56
ACD/KOC (pH 7.4): 977.86
Polar Surface Area: 64 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 394.7±3.0 cm3

Click to predict properties on the Chemicalize site


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