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tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate

CAS 1417793-99-7Formula C17H23ClF3N3O2MW 393.8PubChem 71303243

tert-Butyl 4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate (CAS 1417793-99-7) is a complex organic compound with a molecular formula of C17H23ClF3N3O2 and a molecular weight of 393.80. It features a piperidine ring, a trifluoromethyl-substituted chloropyridine moiety, and a tert-butyl carbamate group, making it a valuable building block for research in synthetic organic chemistry.

Loading RDKit molecule structure...
InChIKey: QOESEGUQCIBEPM-UHFFFAOYSA-NC17H23ClF3N3O2 | MW 393.8

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

4-[(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]piperidine-1-carboxylateG670634-[(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-methyl-amino]-piperidine-1-carboxylic acid tert-butyl etert-butyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]piperidine-1-carboxylate
Show all synonyms
tert-Butyl4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)piperidine-1-carboxylate
External Identifiers
MFCD22631680DTXSID701107646AKOS024463054DB-218602CS-0446019

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.

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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

Estimated

Estimated / 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

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary 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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