ChemSpider 2D Image | (2S,3S)-N-{2-[(~18~F)Fluoromethoxy]-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamine | C21H22F318FN6O

(2S,3S)-N-{2-[(18F)Fluoromethoxy]-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamine

  • Molecular FormulaC21H22F318FN6O
  • Average mass449.435 Da
  • Monoisotopic mass449.181671 Da
  • ChemSpider ID5290401

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-N-{2-[(18F)Fluormethoxy]-5-[5-(trifluormethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamin [German] [ACD/IUPAC Name]
(2S,3S)-N-{2-[(18F)Fluoromethoxy]-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzyl}-2-phenyl-3-piperidinamine [ACD/IUPAC Name]
(2S,3S)-N-{2-[(18F)Fluorométhoxy]-5-[5-(trifluorométhyl)-1H-tétrazol-1-yl]benzyl}-2-phényl-3-pipéridinamine [French] [ACD/IUPAC Name]
262598-99-2 [RN]
3-Piperidinamine, N-[[2-(fluoro-18F-methoxy)-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]phenyl]methyl]-2-phenyl-, (2S,3S)- [ACD/Index Name]
(2S,3S)-N-[[2-((18F)fluoranylmethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
(2S,3S)-N-[[2-(fluoranylmethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
[18F]SPA-RQ
[18F]-SPA-RQ
[18F]L-829
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4YL3GT1EV9 [DBID]
UNII:4YL3GT1EV9 [DBID]
UNII-4YL3GT1EV9 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 314.1±7.0 cm3

Click to predict properties on the Chemicalize site


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