6-(chloromethyl)-3-hydroxy-2-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-4-pyranone
- Iupac Name：6-(chloromethyl)-3-hydroxy-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]pyran-4-one
- CAS No.: 1428245-41-3
- Molecular Weight：348.8
- Modify Date.: 2022-07-23 10:52
2. Properties
- 2.1 PSA
- 56.92000
- 2.1 logP
- 2.71770
3. Computational chemical data
- Molecular Weight: 348.8g/mol
- Molecular Formula: C18H21ClN2O3
- Compound Is Canonicalized: True
- XLogP3-AA: 2.2
- Exact Mass: 348.1240702
- Monoisotopic Mass: 348.1240702
- Complexity: 530
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 53
- Heavy Atom Count: 24
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAAABAAAAHgIACAAADA/BmEQywIMABgCIAqRSQAKCCAAhIgAIiABIZcgKYCLAkZGXYAhgwADYyQcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==
5. Realated Product Infomation
![4-hydroxy-5-[(4-phenyl-1-piperazinyl)methyl]-3-(1-pyrrolidinylmethyl)-2-pyranone](https://structimg.guidechem.com/9/57/13154876.png)
![4-hydroxy-5-(4-morpholinylmethyl)-3-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-pyranone](https://structimg.guidechem.com/9/45/13151804.png)
![3-(chloromethyl)-5-[(2-methylphenyl)methyl]-1,2,4-oxadiazole](https://structimg.guidechem.com/8/56/2010175.png)
![2-(chloromethyl)-5-[(2-methylphenyl)methyl]-1,3,4-oxadiazole](https://structimg.guidechem.com/6/18/1972757.png)
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![6-(chloromethyl)-3-hydroxy-2-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-4-pyranone structure](http://structimg.guidechem.com/12/12/9012551.png)
