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Pipequaline hydrochloride , CAS No.80221-58-5
Basic Description
Synonyms
2-Phenyl-4-(2-(4-piperidyl)ethyl)quinoline monohydrochloride | 80221-58-5 (HCl) | Pipequaline hydrochloride80221-58-5 | Pipequaline hydrochloride | 2-phenyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride | 2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline mo
Biochemical and Physiological Mechanisms
Pipequaline (PK-8165) hydrochloride is a partial agonist of benzodiazepine receptor with anxiolytic activity.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Pipequaline (PK-8165) hydrochloride is a partial agonist of benzodiazepine receptor with anxiolytic activity.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Phenylquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylquinolines
Alternative Parents
Phenylpyridines Aralkylamines Piperidines Benzene and substituted derivatives Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylquinoline - 2-phenylpyridine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl 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.
Names and Identifiers
IUPAC Name
2-phenyl-4-(2-piperidin-4-ylethyl)quinoline;hydrochloride
INCHI
InChI=1S/C22H24N2.ClH/c1-2-6-18(7-3-1)22-16-19(11-10-17-12-14-23-15-13-17)20-8-4-5-9-21(20)24-22;/h1-9,16-17,23H,10-15H2;1H
InChIKey
JWEMPGHGMSUJIS-UHFFFAOYSA-N
Smiles
C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4.Cl
Isomeric SMILES
C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4.Cl
PubChem CID
3062086
Molecular Weight
352.9
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
352.900 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
352.171 Da
Monoisotopic Mass
352.171 Da
Topological Polar Surface Area
24.900 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
370.000
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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