ChemSpider 2D Image | 4-(3-{4-[(R)-Amino(cyclopentyl)phenylmethyl]-1-piperidinyl}propoxy)benzonitrile | C27H35N3O

4-(3-{4-[(R)-Amino(cyclopentyl)phenylmethyl]-1-piperidinyl}propoxy)benzonitrile

  • Molecular FormulaC27H35N3O
  • Average mass417.586 Da
  • Monoisotopic mass417.278015 Da
  • ChemSpider ID31136126
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-(3-{4-[(R)-Amino(cyclopentyl)phenylmethyl]-1-piperidinyl}propoxy)benzonitril [German] [ACD/IUPAC Name]
4-(3-{4-[(R)-Amino(cyclopentyl)phenylmethyl]-1-piperidinyl}propoxy)benzonitrile [ACD/IUPAC Name]
4-(3-{4-[(R)-Amino(cyclopentyl)phénylméthyl]-1-pipéridinyl}propoxy)benzonitrile [French] [ACD/IUPAC Name]
4-(3-{4-[(R)-Amino(Cyclopentyl)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
Benzonitrile, 4-[3-[4-[(R)-aminocyclopentylphenylmethyl]-1-piperidinyl]propoxy]- [ACD/Index Name]
1560968-55-9 [RN]
2SF
MIV-6R

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.5±25.9 °C
Index of Refraction: 1.601
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 3.87
Polar Surface Area: 62 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 367.6±5.0 cm3

Click to predict properties on the Chemicalize site






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