| Canonical Smiles | COC1CCCNC1 |
|---|---|
| IUPAC Name | (3S)-3-methoxypiperidine |
| InChIKey | MRWRHHSVHWCISU-LURJTMIESA-N |
| INCHI | 1S/C6H13NO/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1 |
| Isomeric SMILES | CO[C@H]1CCCNC1 |
| PubChem CID | 7176282 |
| Molecular Weight | 115.176 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidines |
| Alternative Parents | Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidine - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 115.170 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 115.1 Da |
| Monoisotopic Mass | 115.1 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 65.500 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
