Methyl 4-[(4-{2-[(4-hydroxy-1,2-benzisoxazol-3-yl)oxy]ethyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)C1(CN2CCC(CCOc3noc4cccc(O)c34)CC2)CCOCC1- InChIKey
SSKYYHCSTMKPGM-UHFFFAOYSA-N- Molecular formula
- C22H30N2O6
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.21038668
Names & identifiers
- Preferred name
- Methyl 4-[(4-{2-[(4-hydroxy-1,2-benzisoxazol-3-yl)oxy]ethyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-carboxylate
- IUPAC
- methyl 4-[[4-[2-[(4-hydroxy-1,2-benzoxazol-3-yl)oxy]ethyl]piperidin-1-yl]methyl]oxane-4-carboxylate
Names & synonyms
SCHEMBL5120735SSKYYHCSTMKPGM-UHFFFAOYSA-NMethyl 4-[(4-{2-[(4-hydroxy-1,2-benzisoxazol-3-yl)oxy]ethyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-carboxylate
Database identifiers
- PubChem CID
- 136367381
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 562
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…