ChemSpider 2D Image | (12aS)-2-(1-Benzyl-4-piperidinyl)-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione | C33H34N4O3

(12aS)-2-(1-Benzyl-4-piperidinyl)-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

  • Molecular FormulaC33H34N4O3
  • Average mass534.648 Da
  • Monoisotopic mass534.263062 Da
  • ChemSpider ID21830497

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(12aS)-2-(1-Benzyl-4-piperidinyl)-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-1,4-dion [German] [ACD/IUPAC Name]
(12aS)-2-(1-Benzyl-4-piperidinyl)-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [ACD/IUPAC Name]
(12aS)-2-(1-Benzyl-4-pipéridinyl)-6-(4-méthoxyphényl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione [French] [ACD/IUPAC Name]
Pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, 2,3,6,7,12,12a-hexahydro-6-(4-methoxyphenyl)-2-[1-(phenylmethyl)-4-piperidinyl]-, (12aS)- [ACD/Index Name]
(12aS)-2-(1-benzylpiperidin-4-yl)-6-(4-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
(12aS)-2-(1-benzylpiperidin-4-yl)-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
(12aS)-6-(4-methoxyphenyl)-2-[1-benzyl(4-piperidyl)]-5,6,12,12a-tetrahydro-3H-1,4-diazaperhydroino[1,2-b]β-carboline-1,4-dione
2-(1-Benzyl-piperidin-4-yl)-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

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

Density: 1.3±0.1 g/cm3
Boiling Point: 769.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.4±32.9 °C
Index of Refraction: 1.712
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 10.47
ACD/KOC (pH 5.5): 48.10
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 472.09
ACD/KOC (pH 7.4): 2168.74
Polar Surface Area: 69 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 396.4±5.0 cm3

Click to predict properties on the Chemicalize site


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