| Sonrisas canónicas | CC1=CC=CC=C1C2C(=O)NCCN2 |
|---|---|
| IUPAC Name | 3-(2-methylphenyl)piperazin-2-one |
| InChIKey | NAHRUHTWFSFKJA-UHFFFAOYSA-N |
| INCHI | 1S/C11H14N2O/c1-8-4-2-3-5-9(8)10-11(14)13-7-6-12-10/h2-5,10,12H,6-7H2,1H3,(H,13,14) |
| Isómeros SMILES | CC1=CC=CC=C1C2C(=O)NCCN2 |
| PubChem CID | 21292115 |
| Peso molecular | 190.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | Alpha amino acid amides Toluenes Aralkylamines Secondary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid amide - Phenylpiperazine - Alpha-amino acid or derivatives - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 190.240 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 190.111 Da |
| Monoisotopic Mass | 190.111 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
