TL;DR: 2,2-Dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione (CAS 1023539-62-9) is a chemical compound with molecular formula C11H16N2O4 and molecular weight 240.11101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione
Also Known As: 2,2-dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione, 2,2-DIMETHYL-5-(PIPERAZINYLMETHYLENE)-1,3-DIOXANE-4,6-DIONE, 2,2-dimethyl-5-(piperazin-1-ylmethylene)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(piperazin-1-yl)methylidene]-1,3-dioxane-4,6-dione
| Molecular Formula | C11H16N2O4 |
| Molecular Weight | 240.11101 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.11101 Da |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| SMILES | CC1(OC(=O)C(=CN2CCNCC2)C(=O)O1)C |
| InChIKey | RJQVHWNAUWHVLX-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,2-Dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione is 1023539-62-9.
The molecular formula of 2,2-Dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione is C11H16N2O4.
The molecular weight of 2,2-Dimethyl-5-(piperazin-1-ylmethylidene)-1,3-dioxane-4,6-dione is 240.11101 g/mol.
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