ChemSpider 2D Image | 1-(4-Ethyl-1-piperazinyl)-3-{1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-piperidinyl}-1-propanone | C20H33N3O4

1-(4-Ethyl-1-piperazinyl)-3-{1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-piperidinyl}-1-propanone

  • Molecular FormulaC20H33N3O4
  • Average mass379.494 Da
  • Monoisotopic mass379.247101 Da
  • ChemSpider ID22192581

More details:






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

1-(4-Ethyl-1-piperazinyl)-3-{1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-piperidinyl}-1-propanon [German] [ACD/IUPAC Name]
1-(4-Ethyl-1-piperazinyl)-3-{1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-piperidinyl}-1-propanone [ACD/IUPAC Name]
1-(4-Éthyl-1-pipérazinyl)-3-{1-[(3-méthyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-pipéridinyl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 3-[1-[(5,6-dihydro-3-methyl-1,4-dioxin-2-yl)carbonyl]-4-piperidinyl]-1-(4-ethyl-1-piperazinyl)- [ACD/Index Name]
1-ethyl-4-(3-{1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-piperidinyl}propanoyl)piperazine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.0±30.1 °C
Index of Refraction: 1.525
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 34.57
Polar Surface Area: 62 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 332.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement