ChemSpider 2D Image | 1-[4-(4-Benzyl-1-piperidinyl)-5-(methylsulfonyl)-2-{[2-(1-pyrrolidinyl)ethyl]amino}phenyl]-1-hexanone | C31H45N3O3S

1-[4-(4-Benzyl-1-piperidinyl)-5-(methylsulfonyl)-2-{[2-(1-pyrrolidinyl)ethyl]amino}phenyl]-1-hexanone

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID8090890

More details:

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

1-[4-(4-Benzyl-1-piperidinyl)-5-(methylsulfonyl)-2-{[2-(1-pyrrolidinyl)ethyl]amino}phenyl]-1-hexanon [German] [ACD/IUPAC Name]
1-[4-(4-Benzyl-1-piperidinyl)-5-(methylsulfonyl)-2-{[2-(1-pyrrolidinyl)ethyl]amino}phenyl]-1-hexanone [ACD/IUPAC Name]
1-[4-(4-Benzyl-1-pipéridinyl)-5-(méthylsulfonyl)-2-{[2-(1-pyrrolidinyl)éthyl]amino}phényl]-1-hexanone [French] [ACD/IUPAC Name]
1-Hexanone, 1-[5-(methylsulfonyl)-4-[4-(phenylmethyl)-1-piperidinyl]-2-[[2-(1-pyrrolidinyl)ethyl]amino]phenyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.3±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 70.05
ACD/KOC (pH 5.5): 96.91
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 285.30
ACD/KOC (pH 7.4): 394.70
Polar Surface Area: 78 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 471.1±3.0 cm3

Click to predict properties on the Chemicalize site


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