ChemSpider 2D Image | (2R)-1-[(1-Ethynylcyclohexyl)oxy]-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-propanol | C22H29F3N2O2

(2R)-1-[(1-Ethynylcyclohexyl)oxy]-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-propanol

  • Molecular FormulaC22H29F3N2O2
  • Average mass410.473 Da
  • Monoisotopic mass410.218109 Da
  • ChemSpider ID34994194

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1-[(1-Ethinylcyclohexyl)oxy]-3-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-[(1-Ethynylcyclohexyl)oxy]-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-propanol [ACD/IUPAC Name]
(2R)-1-[(1-Éthynylcyclohexyl)oxy]-3-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, α-[[(1-ethynylcyclohexyl)oxy]methyl]-4-[3-(trifluoromethyl)phenyl]-, (αR)- [ACD/Index Name]
56693-15-3 [RN]
terciprazine [INN]
UNII-TCE6830H8P

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 269.5±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 106.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 76.02
ACD/KOC (pH 5.5): 382.00
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 795.86
ACD/KOC (pH 7.4): 3999.28
Polar Surface Area: 36 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 331.2±5.0 cm3

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