| Canonical Smiles | C1CN(CCN1)C2=NC=CC3=C2C=CC=N3 |
|---|---|
| IUPAC Name | 5-piperazin-1-yl-1,6-naphthyridine |
| InChIKey | SQSNAEMKKDCJLU-UHFFFAOYSA-N |
| INCHI | 1S/C12H14N4/c1-2-10-11(14-4-1)3-5-15-12(10)16-8-6-13-7-9-16/h1-5,13H,6-9H2 |
| Molecular Weight | 214.27 |
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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 | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Naphthyridines Dialkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Pyridinylpiperazine - Naphthyridine - Dialkylarylamine - Aminopyridine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Molecular Weight | 214.270 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 214.122 Da |
| Monoisotopic Mass | 214.122 Da |
| Topological Polar Surface Area | 41.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 227.000 |
| 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 |
