| Canonical Smiles | COCCN1CCC(CC1)C(=O)O |
|---|---|
| IUPAC Name | 1-(2-methoxyethyl)piperidine-4-carboxylic acid |
| InChIKey | IJRGJHKHDNEQRY-UHFFFAOYSA-N |
| INCHI | 1S/C9H17NO3/c1-13-7-6-10-4-2-8(3-5-10)9(11)12/h8H,2-7H2,1H3,(H,11,12) |
| Isomeric SMILES | COCCN1CCC(CC1)C(=O)O |
| PubChem CID | 22185384 |
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 | Piperidinecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Piperidinecarboxylic acids |
| Alternative Parents | Trialkylamines Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Piperidinecarboxylic acid - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 187.240 g/mol |
|---|---|
| XLogP3 | -2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 187.121 Da |
| Monoisotopic Mass | 187.121 Da |
| Topological Polar Surface Area | 49.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
