| Canonical Smiles | CC1CCCCN1C2=C(C=C(C=C2)Cl)N |
|---|---|
| IUPAC Name | 5-chloro-2-(2-methylpiperidin-1-yl)aniline |
| InChIKey | GUYKONGIFFZKQY-UHFFFAOYSA-N |
| INCHI | 1S/C12H17ClN2/c1-9-4-2-3-7-15(9)12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7,14H2,1H3 |
| Isomeric SMILES | CC1CCCCN1C2=C(C=C(C=C2)Cl)N |
| PubChem CID | 16777085 |
| Molecular Weight | 224.74 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Dialkylarylamines Aniline and substituted anilines Chlorobenzenes Aryl chlorides Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Azacycle - Organopnictogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 224.730 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 224.108 Da |
| Monoisotopic Mass | 224.108 Da |
| Topological Polar Surface Area | 29.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| 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 |
