| Canonical Smiles | CC1CNCCN1CC(C)O |
|---|---|
| IUPAC Name | 1-(2-methylpiperazin-1-yl)propan-2-ol |
| InChIKey | VETIDONBPBWNCY-UHFFFAOYSA-N |
| INCHI | 1S/C8H18N2O/c1-7-5-9-3-4-10(7)6-8(2)11/h7-9,11H,3-6H2,1-2H3 |
| Isomeric SMILES | CC1CNCCN1CC(C)O |
| PubChem CID | 14598034 |
| Molecular Weight | 158.24 |
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 Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | N-alkylpiperazine - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - 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 | 158.240 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 158.142 Da |
| Monoisotopic Mass | 158.142 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 119.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
