4-(Trifluoromethyl)Piperidine Hydrochloride - ≥97% , CAS No.155849-49-3

CAS: 155849-49-3 Cat. No.: T132002 Molecular Weight: 189.61 EC Number: 625-412-3 PubChem CID: 16218160

GRADE & PURITY ≥97%

Synonyms

DTXSID50584789 | 4-trifluoromethyl piperidine hydrochloride | A3427 | Z1203162202 | 4-Trifluoromethylpiperidine hydrochloride | 4-trifluoromethyl-piperidine hydrochloride | 4-(Trifluoromethyl)piperidine hydrochloride | AKOS005063309 | 4-(trifluoromethyl)p

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Product application:

Reactnat for:

C,N-cross coupling reactions；

Synthesis of dopamine D3 receptor antagonists

Specifications

Synonyms

DTXSID50584789 | 4-trifluoromethyl piperidine hydrochloride | A3427 | Z1203162202 | 4-Trifluoromethylpiperidine hydrochloride | 4-trifluoromethyl-piperidine hydrochloride | 4-(Trifluoromethyl)piperidine hydrochloride | AKOS005063309 | 4-(trifluoromethyl)p

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504768322
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768322
• Canonical Smiles: C1CNCCC1C(F)(F)F.Cl
• IUPAC Name: 4-(trifluoromethyl)piperidine;hydrochloride
• InChIKey: KMUKXPQVPQUCDB-UHFFFAOYSA-N
• INCHI: 1S/C6H10F3N.ClH/c7-6(8,9)5-1-3-10-4-2-5;/h5,10H,1-4H2;1H
• Isomeric SMILES: C1CNCCC1C(F)(F)F.Cl
• WGK Germany: 3
• PubChem CID: 16218160
• Molecular Weight: 189.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidines
• Alternative Parents: Quaternary ammonium salts Dialkylamines Azacyclic compounds Organofluorides Organic chloride salts Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidine - Quaternary ammonium salt - Secondary aliphatic amine - Azacycle - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Organic chloride salt - Alkyl fluoride - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 155-159 °C
• Molecular Weight: 189.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 189.053 Da
• Monoisotopic Mass: 189.053 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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