ChemSpider 2D Image | [(3S)-3-(3,4-Dichlorophenyl)-3-(3-hydroxypropyl)-1-piperidinyl](phenyl)methanone | C21H23Cl2NO2

[(3S)-3-(3,4-Dichlorophenyl)-3-(3-hydroxypropyl)-1-piperidinyl](phenyl)methanone

  • Molecular FormulaC21H23Cl2NO2
  • Average mass392.319 Da
  • Monoisotopic mass391.110596 Da
  • ChemSpider ID19440672

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-3-(3,4-Dichlorophenyl)-3-(3-hydroxypropyl)-1-piperidinyl](phenyl)methanone [ACD/IUPAC Name]
[(3S)-3-(3,4-Dichlorophényl)-3-(3-hydroxypropyl)-1-pipéridinyl](phényl)méthanone [French] [ACD/IUPAC Name]
[(3S)-3-(3,4-Dichlorphenyl)-3-(3-hydroxypropyl)-1-piperidinyl](phenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(3S)-3-(3,4-dichlorophenyl)-3-(3-hydroxypropyl)-1-piperidinyl]phenyl- [ACD/Index Name]
(S)-(3-(3,4-Dichlorophenyl)-3-(3-hydroxypropyl)piperidin-1-yl)(phenyl)methanone
[(3S)-3-(3,4-Dichlorophenyl)-3-(3-hydroxypropyl)piperidin-1-yl](phenyl)methanone
172734-70-2 [RN]
3-[(3S)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propan-1-ol
MFCD20271956 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 284.8±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 105.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4052.10
ACD/KOC (pH 5.5): 13303.66
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4052.10
ACD/KOC (pH 7.4): 13303.66
Polar Surface Area: 41 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 312.6±3.0 cm3

Click to predict properties on the Chemicalize site


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