| Sonrisas canónicas | CC1=CC=CC=C1CC2CCCNC2 |
|---|---|
| IUPAC Name | 3-[(2-methylphenyl)methyl]piperidine |
| InChIKey | PKKKUNQUYXLKBK-UHFFFAOYSA-N |
| INCHI | 1S/C13H19N/c1-11-5-2-3-7-13(11)9-12-6-4-8-14-10-12/h2-3,5,7,12,14H,4,6,8-10H2,1H3 |
| Isómeros SMILES | CC1=CC=CC=C1CC2CCCNC2 |
| PubChem CID | 17039520 |
| Peso molecular | 189.3 |
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 | 3-benzylpiperidines |
| Alternative Parents | Toluenes Aralkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-benzylpiperidine - Aralkylamine - Toluene - Benzenoid - Monocyclic benzene moiety - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 3-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 3-position of a piperidine. |
| External Descriptors | Not available |
| Peso molecular | 189.300 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 189.152 Da |
| Monoisotopic Mass | 189.152 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 167.000 |
| 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 |
