ChemSpider 2D Image | (2E,4E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4,12-tridecatrien-1-one | C25H33NO3

(2E,4E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4,12-tridecatrien-1-one

  • Molecular FormulaC25H33NO3
  • Average mass395.534 Da
  • Monoisotopic mass395.246033 Da
  • ChemSpider ID23321522

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4,12-tridecatrien-1-on [German] [ACD/IUPAC Name]
(2E,4E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4,12-tridecatrien-1-one [ACD/IUPAC Name]
(2E,4E,12E)-13-(1,3-Benzodioxol-5-yl)-1-(1-pipéridinyl)-2,4,12-tridécatrién-1-one [French] [ACD/IUPAC Name]
(2E,4E,12E)-13-(1,3-benzodioxol-5-yl)-1-(piperidin-1-yl)trideca-2,4,12-trien-1-one
2,4,12-Tridecatrien-1-one, 13-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E,12E)- [ACD/Index Name]
(2E,4E,12E)-13-(benzo[d][1,3]dioxol-5-yl)-1-(piperidin-1-yl)trideca-2,4,12-trien-1-one
PIPERCHABAMIDE C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±30.1 °C
Index of Refraction: 1.575
Molar Refractivity: 119.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6640.09
ACD/KOC (pH 5.5): 18945.39
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6640.09
ACD/KOC (pH 7.4): 18945.39
Polar Surface Area: 39 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 361.1±3.0 cm3

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