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CS-W001157 4
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3-[[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione

  • CAS No. 1211565-08-0

  • Cat. No. CS-0092942
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-[[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione|CS-0092942

Structure of 1211565-08-0

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General Information

  • CAS No. 1211565-08-0
  • Cat. No. CS-0092942
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₂H₂₆F₃N₃O₂
  • Molecular Weight 421.46
  • Synonym(s) 4-[[(1R,2R)-2-Piperidinocyclohexyl]amino]-3-[4-(trifluoromethyl)anilino]-3-cyclobutene-1,2-dione
  • SMILES O=C1C(NC2=CC=C(C(F)(F)F)C=C2)=C(N[C@H]3[C@H](N4CCCCC4)CCCC3)C1=O

Application

3-[[(1R,2R)-2-(1-Piperidinyl)cyclohexyl]amino]-4-[[4-(trifluoromethyl)phenyl]amino]-3-cyclobutene-1,2-dione serves as a versatile building block in medicinal chemistry, enabling the construction of complex heterocyclic scaffolds through controlled functionalization. Its cyclobutenedione core exhibits predictable reactivity in nucleophilic addition and cycloaddition processes, while the piperidinyl and trifluoromethylphenyl substituents offer favorable solubility and metabolic stability. The compound demonstrates bench-stable handling and facilitates straightforward purification, making it suitable for iterative synthesis campaigns and library generation.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335-H413
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.44
  • LogP   4.254
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   5

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