Basic information
- Standard SMILES
CCOC(=O)C1CCCN(CCC2COc3ccccc3O2)C1- InChIKey
YZODWNRGWDMHPE-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- 1-[2-(Benzo-1,4-dioxan-2-yl)ethyl]-piperidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]piperidine-3-carboxylate
Names & synonyms
SCHEMBL9692476YZODWNRGWDMHPE-UHFFFAOYSA-N1-[2-(benzo-1,4-dioxan-2-yl)ethyl]-piperidine-3-carboxylic acid ethyl ester1-[2-(benzo-1,4-dioxan-2-yl)ethyl]piperidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 14838437
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
2 records
Compound notes
Loading…