ChemSpider 2D Image | 1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-(3,3,3-~2~H_3_)propanone | C15H18D3NO2

1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-(3,3,3-2H3)propanone

  • Molecular FormulaC15H18D3NO2
  • Average mass250.351 Da
  • Monoisotopic mass250.176056 Da
  • ChemSpider ID48061864
  • Non-standard isotope - Non-standard isotope


More details:






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

1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-(3,3,3-2H3)propanon [German] [ACD/IUPAC Name]
1-[4-(3-Hydroxyphenyl)-1-methyl-4-piperidinyl]-1-(3,3,3-2H3)propanone [ACD/IUPAC Name]
1-[4-(3-Hydroxyphényl)-1-méthyl-4-pipéridinyl]-1-(3,3,3-2H3)propanone [French] [ACD/IUPAC Name]
1-Propanone-3,3,3-d3, 1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidinyl]- [ACD/Index Name]
1346601-42-0 [RN]
3,3,3-trideuterio-1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 391.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 190.4±27.9 °C
Index of Refraction: 1.544
Molar Refractivity: 71.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 52.67
Polar Surface Area: 41 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 226.3±3.0 cm3

Click to predict properties on the Chemicalize site






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