Basic information
- Standard SMILES
COC(=O)c1cc(OCCCN2CCCCC2)no1- InChIKey
LAWDSXIQTJRODK-UHFFFAOYSA-N- Molecular formula
- C13H20N2O4
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.14230712
Names & identifiers
- Preferred name
- 3-(3-Piperidin-1-yl-propoxy)-isoxazole-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-(3-piperidin-1-ylpropoxy)-1,2-oxazole-5-carboxylate
Names & synonyms
SCHEMBL1858284LAWDSXIQTJRODK-UHFFFAOYSA-N3-(3-Piperidin-1-yl-propoxy)-isoxazole-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 44515459
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Related reactions
3 records
Compound notes
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