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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)piperidin-2-one

  • CAS No. 1000934-03-1

  • Cat. No. CS-0094452
  • Purity≥97%
  • MDL No.None

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

3-(Trifluoromethyl)piperidin-2-one|CS-0094452

Structure of 1000934-03-1

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General Information

  • CAS No. 1000934-03-1
  • Cat. No. CS-0094452
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈F₃NO
  • Molecular Weight 167.13
  • Synonym(s) None
  • SMILES O=C1NCCCC1C(F)(F)F

Description

3-(Trifluoromethyl)piperidin-2-one features a sterically constrained piperidinone core bearing a strongly electron-withdrawing trifluoromethyl group, enhancing its metabolic stability and modulating electronic properties. This scaffold serves as a key building block in medicinal chemistry for targeted ligand design, particularly in CNS-directed therapeutics and kinase inhibitors.

Application

3-(Trifluoromethyl)piperidin-2-one serves as a versatile building block in medicinal chemistry, enabling efficient access to bioactive heterocycles through standard amide bond formation and reductive amination. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the piperidinone core provides a rigid scaffold for structure-activity studies. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput synthesis and lead optimization workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   1.0749
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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