ChemSpider 2D Image | (3R,5R)-5-[3-(Cyclopentyloxy)-4-methoxyphenyl]-3-(3-methylbenzyl)-2-piperidinone | C25H31NO3

(3R,5R)-5-[3-(Cyclopentyloxy)-4-methoxyphenyl]-3-(3-methylbenzyl)-2-piperidinone

  • Molecular FormulaC25H31NO3
  • Average mass393.518 Da
  • Monoisotopic mass393.230408 Da
  • ChemSpider ID35522981

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5R)-5-[3-(Cyclopentyloxy)-4-methoxyphenyl]-3-(3-methylbenzyl)-2-piperidinon [German] [ACD/IUPAC Name]
(3R,5R)-5-[3-(Cyclopentyloxy)-4-methoxyphenyl]-3-(3-methylbenzyl)-2-piperidinone [ACD/IUPAC Name]
(3R,5R)-5-[3-(Cyclopentyloxy)-4-méthoxyphényl]-3-(3-méthylbenzyl)-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 5-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-[(3-methylphenyl)methyl]-, (3R,5R)- [ACD/Index Name]
HT-0712

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

Density: 1.1±0.1 g/cm3
Boiling Point: 583.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.4±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1649.10
ACD/KOC (pH 5.5): 6990.41
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1649.10
ACD/KOC (pH 7.4): 6990.42
Polar Surface Area: 48 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 350.5±3.0 cm3

Click to predict properties on the Chemicalize site


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