Basic information
- Standard SMILES
COc1ccc(OCC(O)CN2CCC(c3noc4cc(F)ccc34)CC2)cc1- InChIKey
FADILOYYOVHXOZ-UHFFFAOYSA-N- Molecular formula
- C22H25FN2O4
- Average molar mass
- 400.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether
- IUPAC
- 1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol
Names & synonyms
SCHEMBL1545448FADILOYYOVHXOZ-UHFFFAOYSA-N4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl],2-hydroxy-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydrox-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether4-[3-[4-(6-Fluoro1,2-benzisoxazol-3-yl)-piperidinyl]-2-hydroxy-1-propoxy]phenyl methyl ether
Database identifiers
- PubChem CID
- 18467257
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 497
Related reactions
49 records
Linked notes
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