1-[5-(TrifluoroMethyl)-2-pyridinyl]piperazine - ≥98% , CAS No.132834-58-3

CAS: 132834-58-3 Cat. No.: T419960 Molecular Weight: 231.22 EC Number: 670-979-2 PubChem CID: 667618

GRADE & PURITY ≥98%

Synonyms

132834-58-3|1-[5-(trifluoromethyl)pyridin-2-yl]piperazine|1-(5-(Trifluoromethyl)pyridin-2-yl)piperazine|1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine|1-[5-(trifluoromethyl)pyrid-2-yl]piperazine|1-[5-(trifluoromethyl)pyridine-2-yl]piperazine|1-(5-trifluoro

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

132834-58-3 | 1-[5-(trifluoromethyl)pyridin-2-yl]piperazine | 1-(5-(Trifluoromethyl)pyridin-2-yl)piperazine | 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine | 1-[5-(trifluoromethyl)pyrid-2-yl]piperazine | 1-[5-(trifluoromethyl)pyridine-2-yl]piperazine | 1-(5-trifluoro

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504759810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759810
• Canonical Smiles: C1CN(CCN1)C2=NC=C(C=C2)C(F)(F)F
• IUPAC Name: 1-[5-(trifluoromethyl)pyridin-2-yl]piperazine
• InChIKey: BNMSJUIMZULLAS-UHFFFAOYSA-N
• INCHI: 1S/C10H12F3N3/c11-10(12,13)8-1-2-9(15-7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
• Isomeric SMILES: C1CN(CCN1)C2=NC=C(C=C2)C(F)(F)F
• PubChem CID: 667618
• Molecular Weight: 231.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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

• Molecular Weight: 231.220 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 231.098 Da
• Monoisotopic Mass: 231.098 Da
• Topological Polar Surface Area: 28.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 226.000
• 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: 1

References

1. Yu-Yin Wang, Ying Feng, Xiao-Tong Liu, Lin-Ying Cao, Qing-Ying Xu, Hao Qu, Tong Zhao, Yunyun Li, Guoming Lin.  (2024)  Organic–Inorganic Hybrid Halide X-ray Scintillator with High Antiwater Stability.  INORGANIC CHEMISTRY,      [PMID:39151039] [10.1021/acs.inorgchem.4c02066]