ChemSpider 2D Image | 1-{3-[4-({4-[(3-Chlorophenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinone | C29H35ClN2O4

1-{3-[4-({4-[(3-Chlorophenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinone

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID68399539

More details:

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

1-{3-[4-({4-[(3-Chlorophenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinone [ACD/IUPAC Name]
1-{3-[4-({4-[(3-Chlorophénoxy)méthyl]-4-méthoxy-1-pipéridinyl}méthyl)phénoxy]propyl}-5-méthyl-2(1H)-pyridinone [French] [ACD/IUPAC Name]
1-{3-[4-({4-[(3-Chlorphenoxy)methyl]-4-methoxy-1-piperidinyl}methyl)phenoxy]propyl}-5-methyl-2(1H)-pyridinon [German] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1-[3-[4-[[4-[(3-chlorophenoxy)methyl]-4-methoxy-1-piperidinyl]methyl]phenoxy]propyl]-5-methyl- [ACD/Index Name]
1-[3-(4-{[4-(3-CHLOROPHENOXYMETHYL)-4-METHOXYPIPERIDIN-1-YL]METHYL}PHENOXY)PROPYL]-5-METHYLPYRIDIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.3±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 143.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 36.56
ACD/KOC (pH 5.5): 118.77
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1632.30
ACD/KOC (pH 7.4): 5302.55
Polar Surface Area: 51 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 413.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement