ChemSpider 2D Image | 1-[3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl]-2-(methylsulfanyl)ethanone | C13H23NO2S

1-[3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl]-2-(methylsulfanyl)ethanone

  • Molecular FormulaC13H23NO2S
  • Average mass257.392 Da
  • Monoisotopic mass257.144958 Da
  • ChemSpider ID29549672

More details:

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

1-[3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl]-2-(methylsulfanyl)ethanon [German] [ACD/IUPAC Name]
1-[3-(Cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl]-2-(methylsulfanyl)ethanone [ACD/IUPAC Name]
1-[3-(Cyclopropylméthyl)-3-(hydroxyméthyl)-1-pipéridinyl]-2-(méthylsulfanyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)-1-piperidinyl]-2-(methylthio)- [ACD/Index Name]
{3-(cyclopropylmethyl)-1-[(methylthio)acetyl]piperidin-3-yl}methanol
1-[3-(CYCLOPROPYLMETHYL)-3-(HYDROXYMETHYL)PIPERIDIN-1-YL]-2-(METHYLSULFANYL)ETHAN-1-ONE
1-[3-(CYCLOPROPYLMETHYL)-3-(HYDROXYMETHYL)PIPERIDIN-1-YL]-2-(METHYLSULFANYL)ETHANONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 414.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 204.6±21.8 °C
Index of Refraction: 1.550
Molar Refractivity: 71.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.65
ACD/KOC (pH 5.5): 282.60
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.65
ACD/KOC (pH 7.4): 282.60
Polar Surface Area: 66 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 223.1±3.0 cm3

Click to predict properties on the Chemicalize site


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