| Canonical Smiles | COC(CN1CCNCC1)OC |
|---|---|
| IUPAC Name | 1-(2,2-dimethoxyethyl)piperazine |
| InChIKey | UEOCHFHHZPPAPA-UHFFFAOYSA-N |
| INCHI | 1S/C8H18N2O2/c1-11-8(12-2)7-10-5-3-9-4-6-10/h8-9H,3-7H2,1-2H3 |
| Isomeric SMILES | COC(CN1CCNCC1)OC |
| PubChem CID | 45099607 |
| Molecular Weight | 174.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylpiperazines |
| Alternative Parents | Trialkylamines Dialkylamines Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | N-alkylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group. |
| External Descriptors | Not available |
| Molecular Weight | 174.240 g/mol |
|---|---|
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 174.137 Da |
| Monoisotopic Mass | 174.137 Da |
| Topological Polar Surface Area | 33.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 112.000 |
| 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 |
