| Sonrisas canónicas | C1CN(CCN1)C2=CC=CC3=C2C=CN=C3.Cl |
|---|---|
| IUPAC Name | 5-piperazin-1-ylisoquinoline;hydrochloride |
| InChIKey | KXXZSVZACHQAOS-UHFFFAOYSA-N |
| INCHI | 1S/C13H15N3.ClH/c1-2-11-10-15-5-4-12(11)13(3-1)16-8-6-14-7-9-16;/h1-5,10,14H,6-9H2;1H |
| Isómeros SMILES | C1CN(CCN1)C2=CC=CC3=C2C=CN=C3.Cl |
| CAS alternativo | 209733-17-5 |
| PubChem CID | 42614440 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Isoquinolines and derivatives Dialkylarylamines Pyridines and derivatives Benzenoids Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Isoquinoline - Dialkylarylamine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Peso molecular | 249.740 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 249.103 Da |
| Monoisotopic Mass | 249.103 Da |
| Topological Polar Surface Area | 28.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 |
