HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 339663Generated: November 5, 2026
2-[2,6-Dimethyl-1-(4-piperidin-1-ylbut-2-ynyl)pyridin-4-ylidene]indene-1,3-dione
https://huagongshe.com/en/chemical/339663
Identifiers & Physical Properties
| CAS No. | 80672-58-8 |
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| Molecular formula | C25H26N2O2 |
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| Average molar mass | 386.5 g/mol |
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| Monoisotopic mass | 386.19942808 g/mol |
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| SMILES | CC1=CC(=C2C(=O)c3ccccc3C2=O)C=C(C)N1CC#CCN1CCCCC1 |
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| InChIKey | PAEGIQYZWVDFHA-UHFFFAOYSA-N |
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| PubChem CID | 339663 |
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| DTXSID | DTXSID10320963 |
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Chemical & Physical Properties
| XLogP | 3.9 |
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| Topological polar surface area | 40.6 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 810 |
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![2-[2,6-Dimethyl-1-(4-piperidin-1-ylbut-2-ynyl)pyridin-4-ylidene]indene-1,3-dione molecular structure](/img/chemical/339663.png)