Basic information
- CAS
113225-21-1- Standard SMILES
COc1cc(OC)c([C@H]2CCN(C)C[C@H]2O)c(O)c1C(C)=O- InChIKey
HNGILLDYMAAHTF-WDEREUQCSA-N- Molecular formula
- C16H23NO5
- Average molar mass
- 309.36 g/mol
- Monoisotopic mass
- 309.15762283
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-3-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl)ethan-1-one
- IUPAC
- 1-[2-hydroxy-3-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4,6-dimethoxyphenyl]ethanone
Names & synonyms
113225-21-11-(2-Hydroxy-3-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4,6-dimethoxyphenyl)ethan-1-one1-{2-Hydroxy-3-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4,6-dimethoxyphenyl}ethan-1-oneSCHEMBL2512372DTXSID6011263161-[2-Hydroxy-3-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-4,6-dimethoxyphenyl]ethanone
Database identifiers
- CAS
113225-21-1- PubChem CID
- 11278286
- DTXSID
DTXSID601126316- EC Number
- 601-245-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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