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Search term: XONWACXKRVAXQD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl 1-(2-phenylethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate | C22H33NO3

Ethyl 1-(2-phenylethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate

  • Molecular FormulaC22H33NO3
  • Average mass359.502 Da
  • Monoisotopic mass359.246033 Da
  • ChemSpider ID22154925

More details:

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

1-(2-Phényléthyl)-4-(tétrahydro-2H-pyran-2-ylméthyl)-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-(2-phenylethyl)-4-[(tetrahydro-2H-pyran-2-yl)methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(2-phenylethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-(2-phenylethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(OXAN-2-YLMETHYL)-1-(2-PHENYLETHYL)PIPERIDINE-4-CARBOXYLATE
ETHYL 4-[(OXAN-2-YL)METHYL]-1-(2-PHENYLETHYL)PIPERIDINE-4-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 458.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.8±25.9 °C
Index of Refraction: 1.521
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 8.45
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 72.37
ACD/KOC (pH 7.4): 389.26
Polar Surface Area: 39 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 339.5±3.0 cm3

Click to predict properties on the Chemicalize site


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