ChemSpider 2D Image | (3S)-3-(3,4-Dimethylphenyl)-1-propylpiperidine | C16H25N

(3S)-3-(3,4-Dimethylphenyl)-1-propylpiperidine

  • Molecular FormulaC16H25N
  • Average mass231.376 Da
  • Monoisotopic mass231.198700 Da
  • ChemSpider ID26348818

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-(3,4-Dimethylphenyl)-1-propylpiperidin [German] [ACD/IUPAC Name]
(3S)-3-(3,4-Dimethylphenyl)-1-propylpiperidine [ACD/IUPAC Name]
(3S)-3-(3,4-Diméthylphényl)-1-propylpipéridine [French] [ACD/IUPAC Name]
Piperidine, 3-(3,4-dimethylphenyl)-1-propyl-, (3S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1789874/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 333.0±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.6±3.0 kJ/mol
Flash Point: 140.9±18.9 °C
Index of Refraction: 1.513
Molar Refractivity: 74.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 7.28
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 15.47
ACD/KOC (pH 7.4): 61.26
Polar Surface Area: 3 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


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