7-Hydroxy-3-phenyl-8-piperidin-1-ylmethyl-chromen-4-one
Basic information
- CAS
67292-76-6- Standard SMILES
Cl.O=c1c(-c2ccccc2)coc2c(CN3CCCCC3)c(O)ccc12- InChIKey
XNSXHILCMIUBNA-UHFFFAOYSA-N- Molecular formula
- C21H22ClNO3
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1288213
Overview
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Names & identifiers
- Preferred name
- 7-Hydroxy-3-phenyl-8-piperidin-1-ylmethyl-chromen-4-one
- IUPAC
- 7-hydroxy-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one;hydrochloride
Names & synonyms
MLS001209867CHEMBL1371314DTXSID00986496SMR0005163677-Hydroxy-3-phenyl-8-piperidin-1-ylmethyl-chromen-4-one7-Hydroxy-3-phenyl-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Database identifiers
- CAS
67292-76-6- PubChem CID
- 23724232
- DTXSID
DTXSID00986496- ChEMBL
CHEMBL1371314
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
Related reactions
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Compound notes
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