ChemSpider 2D Image | 4-(3-{4-[(S)-Cyclopentyl(hydroxy)phenylmethyl]-1-piperidinyl}propoxy)benzonitrile | C27H34N2O2

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

  • Molecular FormulaC27H34N2O2
  • Average mass418.571 Da
  • Monoisotopic mass418.262024 Da
  • ChemSpider ID31134198

  • 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)phenylmethyl]-1-piperidinyl}propoxy)benzonitril [German] [ACD/IUPAC Name]
4-(3-{4-[(S)-Cyclopentyl(hydroxy)phenylmethyl]-1-piperidinyl}propoxy)benzonitrile [ACD/IUPAC Name]
4-(3-{4-[(S)-Cyclopentyl(hydroxy)phénylméthyl]-1-pipéridinyl}propoxy)benzonitrile [French] [ACD/IUPAC Name]
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
Benzonitrile, 4-[3-[4-[(S)-cyclopentylhydroxyphenylmethyl]-1-piperidinyl]propoxy]- [ACD/Index Name]
2VK

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 316.3±25.9 °C
Index of Refraction: 1.602
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.07
ACD/KOC (pH 5.5): 15.03
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 41.57
ACD/KOC (pH 7.4): 123.32
Polar Surface Area: 56 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 361.4±5.0 cm3

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