5-Hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
Basic information
- CAS
794470-75-0- Standard SMILES
CN1CCN(Cc2cc(=O)c(O)co2)CC1- InChIKey
XEQCWHOTJAJJLC-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
Names & identifiers
- Preferred name
- 5-Hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
- IUPAC
- 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyran-4-one
- English name
- 4H-Pyran-4-one, 5-hydroxy-2-[(4-methyl-1-piperazinyl)methyl]- (9CI)
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
794470-75-0SCHEMBL8346737DB-2724534H-PYRAN-4-ONE, 5-HYDROXY-2-[(4-METHYL-1-PIPERAZINYL)METHYL]-4H-Pyran-4-one, 5-hydroxy-2-[(4-methyl-1-piperazinyl)methyl]- (9CI)
Database identifiers
- CAS
794470-75-0
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 392.4 · 392.4±42.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 8.18 · 8.18±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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