Basic information
- Standard SMILES
CCOC(=O)C1CCCN(CCC2COc3ccccc3C2)C1- InChIKey
NDJDEVVLRNMAKJ-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.19909372
Names & identifiers
- Preferred name
- 1-[2-(Chroman-3-yl)ethyl]-piperidine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[2-(3,4-dihydro-2H-chromen-3-yl)ethyl]piperidine-3-carboxylate
Names & synonyms
SCHEMBL9690345NDJDEVVLRNMAKJ-UHFFFAOYSA-N1-[2-(chroman-3-yl)ethyl]-piperidine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 14838435
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
3 records
Compound notes
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