1-(4-Phenoxyphenyl)piperazine , CAS No.62755-61-7

CAS: 62755-61-7 Cat. No.: P668789 Molecular Weight: 254.33 EC Number: 263-715-9 PubChem CID: 3017356

Synonyms

1-(4-Phenoxyphenyl)piperazine | EINECS 263-715-9 | Oprea1_372692 | 1-(4-phenoxylphenyl)piperazine | 1-(4-phenoxyphenyl)-piperazine | DTXSID50978407 | CEDIEUVYUSGIDQ-UHFFFAOYSA-N | Piperazine, 1-(4-phenoxyphenyl)- | BDBM50303652 | AKOS000365585 | PD179019

Storage

Room temperature

Specifications

Synonyms

1-(4-Phenoxyphenyl)piperazine | EINECS 263-715-9 | Oprea1_372692 | 1-(4-phenoxylphenyl)piperazine | 1-(4-phenoxyphenyl)-piperazine | DTXSID50978407 | CEDIEUVYUSGIDQ-UHFFFAOYSA-N | Piperazine, 1-(4-phenoxyphenyl)- | BDBM50303652 | AKOS000365585 | PD179019

Storage

Room temperature

Product Properties

• ALogP: 2.6

Names and Identifiers

• Canonical Smiles: C1CN(CCN1)C2=CC=C(C=C2)OC3=CC=CC=C3
• IUPAC Name: 1-(4-phenoxyphenyl)piperazine
• InChIKey: CEDIEUVYUSGIDQ-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2O/c1-2-4-15(5-3-1)19-16-8-6-14(7-9-16)18-12-10-17-11-13-18/h1-9,17H,10-13H2
• Isomeric SMILES: C1CN(CCN1)C2=CC=C(C=C2)OC3=CC=CC=C3
• PubChem CID: 3017356
• Molecular Weight: 254.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Phenylpiperazines N-arylpiperazines Diarylethers Phenoxy compounds Phenol ethers Dialkylarylamines Aniline and substituted anilines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Phenylpiperazine - N-arylpiperazine - Diaryl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 1,4-diazinane - Piperazine - Tertiary amine - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Associated Targets(Human)

LTA4H Tchem Leukotriene A-4 hydrolase (1 Activities)

Discover Target: LTA4H

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 254.330 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 254.142 Da
• Monoisotopic Mass: 254.142 Da
• Topological Polar Surface Area: 24.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 251.000
• 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