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Basic information
- Standard SMILES
CC(=O)N1CCC(COc2ncc(-c3cccc(CO)c3F)cn2)CC1- InChIKey
LJYUTMVSVOWYGU-UHFFFAOYSA-N- Molecular formula
- C19H22FN3O3
- Average molar mass
- 359.4 g/mol
Names & identifiers
- Preferred name
- 1-{4-[({5-[2-Fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl}oxy)methyl]piperidin-1-yl}ethan-1-one
- IUPAC
- 1-[4-[[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]oxymethyl]piperidin-1-yl]ethanone
Names & synonyms
SCHEMBL12525731LJYUTMVSVOWYGU-UHFFFAOYSA-N1-{4-[({5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl}oxy)methyl]piperidin-1-yl}e than-1-one1-{4-[({5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl}oxy)methyl]piperidin-1-yl}ethan-1-one
Database identifiers
- PubChem CID
- 68309842
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Compound notes
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