ChemSpider 2D Image | 2-{(2R,6S)-6-[(2R)-2-Hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl}-1-phenylethanone | C22H27NO2

2-{(2R,6S)-6-[(2R)-2-Hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl}-1-phenylethanone

  • Molecular FormulaC22H27NO2
  • Average mass337.455 Da
  • Monoisotopic mass337.204193 Da
  • ChemSpider ID21250883
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-{(2R,6S)-6-[(2R)-2-Hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl}-1-phenylethanon [German] [ACD/IUPAC Name]
2-{(2R,6S)-6-[(2R)-2-Hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl}-1-phenylethanone [ACD/IUPAC Name]
2-{(2R,6S)-6-[(2R)-2-Hydroxy-2-phényléthyl]-1-méthyl-2-pipéridinyl}-1-phényléthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[(2R,6S)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methyl-2-piperidinyl]-1-phenyl- [ACD/Index Name]
2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
90-69-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 485.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 247.5±20.4 °C
Index of Refraction: 1.563
Molar Refractivity: 101.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 11.59
Polar Surface Area: 41 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

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