Chemical Identity
Molecular Formula
C17H23ClF3N3O2
Molecular Weight
393.8 g/mol
Exact Mass
393.143089
PubChem CID
71303243
IUPAC Name
tert-butyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]piperidine-1-carboxylate
SMILES String
CN(c1ncc(C(F)(F)F)cc1Cl)C1CCN(C(=O)OC(C)(C)C)CC1
Names & Synonyms
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External Identifiers
Catalog Overview
This chemical, identified by CAS 1417793-99-7, is tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate. It is characterized by its intricate structure, which includes a piperidine core, a 3-chloro-5-(trifluoromethyl)pyridin-2-yl group, and a methylamino linkage, along with a tert-butyl carbamate protecting group. With a molecular weight of 393. 80, this compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in the synthesis of novel compounds for drug discovery and chemical biology research.
Use Context
- Research chemical sourcing
- Custom synthesis and catalog availability review
- COA, SDS, pricing, and fulfillment workflow
Read more catalog context
This chemical, identified by CAS 1417793-99-7, is tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate. It is characterized by its intricate structure, which includes a piperidine core, a 3-chloro-5-(trifluoromethyl)pyridin-2-yl group, and a methylamino linkage, along with a tert-butyl carbamate protecting group. With a molecular weight of 393.80, this compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in the synthesis of novel compounds for drug discovery and chemical biology research. It serves as a versatile intermediate for advanced synthetic applications.
Physical Data
EstimatedEstimated / predicted physical property values for catalog reference.
Appearance
White solid
Physical State
Solid
Melting Point
80.0 °C
Boiling Point
420.0 °C
Density
1.28 g/cm³
Water Solubility
Slightly soluble
Flash Point
257.4 °C
Applications / Classifications
Biological Target Reference
No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.
Preliminary Safety-Style Reference
PreliminaryPreliminary safety-style information for reference only. Not a supplier SDS.
Handling and Storage
- Handle tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or fume hood to avoid inhalation. Prevent skin and eye contact. In case of exposure, rinse thoroughly with water and seek medical attention if irritation persists. Store in a cool, dry place, tightly sealed, away from incompatible materials. Dispose of according to local regulations for chemical waste.
Related Products / Graph Discovery
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