| Sonrisas canónicas | CC1CC(=O)CN(C1)CC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 1-benzyl-5-methylpiperidin-3-one |
| InChIKey | LQHLLGBMPQNQLJ-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| Isómeros SMILES | CC1CC(=O)CN(C1)CC2=CC=CC=C2 |
| PubChem CID | 22278917 |
| Peso molecular | 203.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzylpiperidines |
| Alternative Parents | Phenylmethylamines Benzylamines Piperidinones Aralkylamines Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzylpiperidine - Benzylamine - Phenylmethylamine - Piperidinone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| External Descriptors | Not available |
| Peso molecular | 203.280 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 203.131 Da |
| Monoisotopic Mass | 203.131 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| 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 |
