ChemSpider 2D Image | 1-{(2S)-2-[3-(1-Pyrrolidinyl)-1-propyn-1-yl]-1-piperidinyl}ethanone | C14H22N2O

1-{(2S)-2-[3-(1-Pyrrolidinyl)-1-propyn-1-yl]-1-piperidinyl}ethanone

  • Molecular FormulaC14H22N2O
  • Average mass234.337 Da
  • Monoisotopic mass234.173218 Da
  • ChemSpider ID26398118

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{(2S)-2-[3-(1-Pyrrolidinyl)-1-propin-1-yl]-1-piperidinyl}ethanon [German] [ACD/IUPAC Name]
1-{(2S)-2-[3-(1-Pyrrolidinyl)-1-propyn-1-yl]-1-piperidinyl}ethanone [ACD/IUPAC Name]
1-{(2S)-2-[3-(1-Pyrrolidinyl)-1-propyn-1-yl]-1-pipéridinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2S)-2-[3-(1-pyrrolidinyl)-1-propyn-1-yl]-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 388.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 167.4±20.2 °C
Index of Refraction: 1.548
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 23.88
Polar Surface Area: 24 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 216.1±5.0 cm3

Click to predict properties on the Chemicalize site


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