ChemSpider 2D Image | 9-[3-(1-Piperidinyl)propoxy]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline | C27H33F3N2O2

9-[3-(1-Piperidinyl)propoxy]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline

  • Molecular FormulaC27H33F3N2O2
  • Average mass474.558 Da
  • Monoisotopic mass474.249420 Da
  • ChemSpider ID23303133

More details:

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

9-[3-(1-Piperidinyl)propoxy]-6-[4-(trifluormethoxy)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isochinolin [German] [ACD/IUPAC Name]
9-[3-(1-Pipéridinyl)propoxy]-6-[4-(trifluorométhoxy)phényl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
9-[3-(1-Piperidinyl)propoxy]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline [ACD/IUPAC Name]
9-[3-(piperidin-1-yl)propoxy]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
Pyrrolo[2,1-a]isoquinoline, 1,2,3,5,6,10b-hexahydro-9-[3-(1-piperidinyl)propoxy]-6-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
9-(3-(piperidin-1-yl)propoxy)-6-(4-(trifluoromethoxy)phenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CHEMBL392283
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL392283/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 543.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.5±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.20
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 31.59
ACD/KOC (pH 7.4): 78.98
Polar Surface Area: 25 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 377.9±5.0 cm3

Click to predict properties on the Chemicalize site


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