ChemSpider 2D Image | 3-{1-[4-(4-Hydroxy-1-butyn-1-yl)benzyl]-3-piperidinyl}-N-methyl-N-(1-methyl-4-piperidinyl)propanamide | C26H39N3O2

3-{1-[4-(4-Hydroxy-1-butyn-1-yl)benzyl]-3-piperidinyl}-N-methyl-N-(1-methyl-4-piperidinyl)propanamide

  • Molecular FormulaC26H39N3O2
  • Average mass425.607 Da
  • Monoisotopic mass425.304230 Da
  • ChemSpider ID22147173

More details:

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

3-{1-[4-(4-Hydroxy-1-butin-1-yl)benzyl]-3-piperidinyl}-N-methyl-N-(1-methyl-4-piperidinyl)propanamid [German] [ACD/IUPAC Name]
3-{1-[4-(4-Hydroxy-1-butyn-1-yl)benzyl]-3-piperidinyl}-N-methyl-N-(1-methyl-4-piperidinyl)propanamide [ACD/IUPAC Name]
3-{1-[4-(4-Hydroxy-1-butyn-1-yl)benzyl]-3-pipéridinyl}-N-méthyl-N-(1-méthyl-4-pipéridinyl)propanamide [French] [ACD/IUPAC Name]
3-Piperidinepropanamide, 1-[[4-(4-hydroxy-1-butyn-1-yl)phenyl]methyl]-N-methyl-N-(1-methyl-4-piperidinyl)- [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: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.22
Polar Surface Area: 47 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 376.2±5.0 cm3

Click to predict properties on the Chemicalize site


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