ChemSpider 2D Image | 4-(3-{4-[(S)-Cyclopentyl(hydroxy)2-pyridinylmethyl]-1-piperidinyl}propoxy)benzonitrile | C26H33N3O2

4-(3-{4-[(S)-Cyclopentyl(hydroxy)2-pyridinylmethyl]-1-piperidinyl}propoxy)benzonitrile

  • Molecular FormulaC26H33N3O2
  • Average mass419.559 Da
  • Monoisotopic mass419.257263 Da
  • ChemSpider ID31136129

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-(3-{4-[(S)-Cyclopentyl(hydroxy)2-pyridinylmethyl]-1-piperidinyl}propoxy)benzonitril [German] [ACD/IUPAC Name]
4-(3-{4-[(S)-Cyclopentyl(hydroxy)2-pyridinylmethyl]-1-piperidinyl}propoxy)benzonitrile [ACD/IUPAC Name]
4-(3-{4-[(S)-Cyclopentyl(hydroxy)2-pyridinylméthyl]-1-pipéridinyl}propoxy)benzonitrile [French] [ACD/IUPAC Name]
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)pyridin-2-Ylmethyl]piperidin-1-Yl}propoxy)benzonitrile
Benzonitrile, 4-[3-[4-[(S)-cyclopentylhydroxy-2-pyridinylmethyl]-1-piperidinyl]propoxy]- [ACD/Index Name]
2S7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 615.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.8±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.15
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 11.05
ACD/KOC (pH 7.4): 56.40
Polar Surface Area: 69 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 354.3±5.0 cm3

Click to predict properties on the Chemicalize site


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