| Sonrisas canónicas | C1CN(CCN1)C(C#N)C2=CC=C(C=C2)Cl |
|---|---|
| IUPAC Name | 2-(4-chlorophenyl)-2-piperazin-1-ylacetonitrile |
| InChIKey | MORGXQASWFOWQP-UHFFFAOYSA-N |
| INCHI | 1S/C12H14ClN3/c13-11-3-1-10(2-4-11)12(9-14)16-7-5-15-6-8-16/h1-4,12,15H,5-8H2 |
| Peso molecular | 235.710 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorobenzenes |
| Alternative Parents | N-alkylpiperazines Aralkylamines Aryl chlorides Trialkylamines Alpha-aminonitriles Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Chlorobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Alpha-aminonitrile - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Carbonitrile - Nitrile - Organopnictogen compound - Organohalogen compound - Organochloride - Amine - Organonitrogen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. |
| External Descriptors | Not available |
| Peso molecular | 235.710 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 235.088 Da |
| Monoisotopic Mass | 235.088 Da |
| Topological Polar Surface Area | 39.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 259.000 |
| 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 |
