3-Hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
Also Known As: Oprea1_117451|Oprea1_154518|IFLab1_003589|IDI1_009696|3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]-4H-pyran-4-one|3-hydroxy-6-(hydroxymethyl)-2-((4-methylpiperazin-1-yl)methyl)-4H-pyran-4-one|3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one|SR-01000445607-1|F0815-0053|3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazin-1-yl)methy|3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazinyl)methyl]pyran-4-one|3-hydroxy-6-(hydroxymethyl)-2-[(4-methyl-1-piperazinyl)methyl]-4H-pyran-4-one
| Molecular Formula | C12H18N2O4 |
|---|---|
| Molecular Weight | 254.12666 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.12666 |
| Monoisotopic Mass | 254.12666 |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 90293-63-3 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C(=O)C=C(O2)CO)O |
| InChIKey | HBWVBIPBALSSJX-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one (CAS 90293-63-3), with molecular formula C12H18N2O4 and molecular weight 254.12666 g/mol. IUPAC: 3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one.