ChemSpider 2D Image | (S)-2-Methyl-1-[(S)-1-Phenylethyl]piperidin-4-One | C14H19NO

(S)-2-Methyl-1-[(S)-1-Phenylethyl]piperidin-4-One

  • Molecular FormulaC14H19NO
  • Average mass217.307 Da
  • Monoisotopic mass217.146667 Da
  • ChemSpider ID24602934
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2S)-2-Methyl-1-[(1S)-1-phenylethyl]-4-piperidinon [German] [ACD/IUPAC Name]
(2S)-2-Methyl-1-[(1S)-1-phenylethyl]-4-piperidinone [ACD/IUPAC Name]
(2S)-2-Méthyl-1-[(1S)-1-phényléthyl]-4-pipéridinone [French] [ACD/IUPAC Name]
(2S)-2-Methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
(S)-2-Methyl-1-[(S)-1-Phenylethyl]piperidin-4-One
103539-60-2 [RN]
4-Piperidinone, 2-methyl-1-[(1S)-1-phenylethyl]-, (2S)- [ACD/Index Name]
(S)-2-Methyl-1-((S)-1-phenylethyl)
(S)-2-Methyl-1-((S)-1-phenylethyl) piperidin-4-one
(S)-2-Methyl-1-((S)-1-phenylethyl)piperidin-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 319.1±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 137.4±11.9 °C
Index of Refraction: 1.535
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.25
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 13.14
ACD/KOC (pH 7.4): 190.90
Polar Surface Area: 20 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 209.6±3.0 cm3

Click to predict properties on the Chemicalize site






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