ChemSpider 2D Image | 3-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-4-piperidinyl]-1-(4-ethyl-1-piperazinyl)-1-propanone | C21H31N5O2

3-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-4-piperidinyl]-1-(4-ethyl-1-piperazinyl)-1-propanone

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22220872

More details:

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

1-Propanone, 3-[1-(2,1,3-benzoxadiazol-5-ylmethyl)-4-piperidinyl]-1-(4-ethyl-1-piperazinyl)- [ACD/Index Name]
3-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-4-piperidinyl]-1-(4-ethyl-1-piperazinyl)-1-propanon [German] [ACD/IUPAC Name]
3-[1-(2,1,3-Benzoxadiazol-5-ylmethyl)-4-piperidinyl]-1-(4-ethyl-1-piperazinyl)-1-propanone [ACD/IUPAC Name]
3-[1-(2,1,3-Benzoxadiazol-5-ylméthyl)-4-pipéridinyl]-1-(4-éthyl-1-pipérazinyl)-1-propanone [French] [ACD/IUPAC Name]
5-({4-[3-(4-ethyl-1-piperazinyl)-3-oxopropyl]-1-piperidinyl}methyl)-2,1,3-benzoxadiazole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 277.9±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 8.76
ACD/KOC (pH 7.4): 109.30
Polar Surface Area: 66 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 329.1±3.0 cm3

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