Basic information
- Standard SMILES
COC(=O)C1=CCCN(CC2COc3ccccc3O2)C1- InChIKey
SXOXDIMPTJTXNZ-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
Names & identifiers
- Preferred name
- 1-(Benzo-1,4-dioxan-2-ylmethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester
- IUPAC
- methyl 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
Names & synonyms
SCHEMBL567418SXOXDIMPTJTXNZ-UHFFFAOYSA-N1-(benzo-1,4-dioxan-2-ylmethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 14838417
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Related reactions
3 records
Compound notes
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