ChemSpider 2D Image | 1-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1-butanone | C22H31N3O4

1-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1-butanone

  • Molecular FormulaC22H31N3O4
  • Average mass401.499 Da
  • Monoisotopic mass401.231445 Da
  • ChemSpider ID23049610

More details:

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

1-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1-butanon [German] [ACD/IUPAC Name]
1-(4-{[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-1-piperidinyl)-1-butanone [ACD/IUPAC Name]
1-(4-{[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]carbonyl}-1-pipéridinyl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl]-1-piperidinyl]- [ACD/Index Name]
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-butyryl-4-piperidinyl)carbonyl]piperazine
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-butyrylpiperidin-4-yl)carbonyl]piperazine
1-(4-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl}piperidin-1-yl)butan-1-one
1-[4-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazine-1-carbonyl)-piperidin-1-yl]-butan-1-one
MFCD13026847
piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(1-oxobutyl)-4-piperidinyl]carbonyl]-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 6.15
ACD/KOC (pH 5.5): 97.66
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.52
ACD/KOC (pH 7.4): 246.45
Polar Surface Area: 62 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 327.1±3.0 cm3

Click to predict properties on the Chemicalize site


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