6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one
Basic information
- CAS
87669-67-8- Standard SMILES
CC1(CN2CCCCC2)COc2c(Cl)cc(Cl)cc2C1=O- InChIKey
YGBVBZDKRPFWNT-UHFFFAOYSA-N- Molecular formula
- C16H19Cl2NO2
- Average molar mass
- 328.2 g/mol
- Monoisotopic mass
- 327.0792842
Names & identifiers
- Preferred name
- 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one
- IUPAC
- 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one
Names & synonyms
87669-67-8DTXSID903213576,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-oneRefChem:306311DTXCID50272477NSC373819NSC-3738196,8-Dichloro-3-methyl-3-[(piperidin-1-yl)methyl]-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
87669-67-8- PubChem CID
- 341503
- DTXSID
DTXSID90321357
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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