| Canonical Smiles | CN1CC(CCC1=O)CO |
|---|---|
| IUPAC Name | 5-(hydroxymethyl)-1-methylpiperidin-2-one |
| InChIKey | RBAIZUMEBMLVSK-UHFFFAOYSA-N |
| INCHI | 1S/C7H13NO2/c1-8-4-6(5-9)2-3-7(8)10/h6,9H,2-5H2,1H3 |
| Molecular Weight | 143.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Piperidinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinones |
| Alternative Parents | Delta lactams Tertiary carboxylic acid amides Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidinone - Delta-lactam - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone. |
| External Descriptors | Not available |
| Molecular Weight | 143.180 g/mol |
|---|---|
| XLogP3 | -0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 143.095 Da |
| Monoisotopic Mass | 143.095 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 136.000 |
| 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 |
