ChemSpider 2D Image | (4R)-1-[(4-Benzyl-1-piperidinyl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one | C22H29NO3

(4R)-1-[(4-Benzyl-1-piperidinyl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one

  • Molecular FormulaC22H29NO3
  • Average mass355.471 Da
  • Monoisotopic mass355.214752 Da
  • ChemSpider ID22839803

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4R)-1-[(4-Benzyl-1-piperidinyl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-on [German] [ACD/IUPAC Name]
(4R)-1-[(4-Benzyl-1-piperidinyl)carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one [ACD/IUPAC Name]
(4R)-1-[(4-Benzyl-1-pipéridinyl)carbonyl]-4,7,7-triméthyl-2-oxabicyclo[2.2.1]heptan-3-one [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptan-3-one, 4,7,7-trimethyl-1-[[4-(phenylmethyl)-1-piperidinyl]carbonyl]-, (4R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.6±25.4 °C
Index of Refraction: 1.570
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.93
ACD/KOC (pH 5.5): 705.36
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.93
ACD/KOC (pH 7.4): 705.36
Polar Surface Area: 47 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 303.8±3.0 cm3

Click to predict properties on the Chemicalize site


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