ChemSpider 2D Image | 2,2'-[(2R,6R)-1-Methyl-2,6-piperidinediyl]bis(1-phenylethanone) | C22H25NO2

2,2'-[(2R,6R)-1-Methyl-2,6-piperidinediyl]bis(1-phenylethanone)

  • Molecular FormulaC22H25NO2
  • Average mass335.439 Da
  • Monoisotopic mass335.188538 Da
  • ChemSpider ID113608494

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-[(2R,6R)-1-Methyl-2,6-piperidindiyl]bis(1-phenylethanon) [German] [ACD/IUPAC Name]
2,2'-[(2R,6R)-1-Methyl-2,6-piperidinediyl]bis(1-phenylethanone) [ACD/IUPAC Name]
2,2'-[(2R,6R)-1-Méthyl-2,6-pipéridinediyl]bis(1-phényléthanone) [French] [ACD/IUPAC Name]
Ethanone, 2,2'-[(2R,6R)-1-methyl-2,6-piperidinediyl]bis[1-phenyl- [ACD/Index Name]
2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone
579-21-5 [RN]
Compound TCFN00444
Lobelanine [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.4±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 196.2±11.4 °C
Index of Refraction: 1.555
Molar Refractivity: 99.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.99
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 5.83
ACD/KOC (pH 7.4): 33.41
Polar Surface Area: 37 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 311.5±3.0 cm3

Click to predict properties on the Chemicalize site


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