Basic information
- Standard SMILES
CCOC(=O)CO[C@@](C)(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1- InChIKey
YYJYGQGPSOBXTK-VGSWGCGISA-N- Molecular formula
- C22H32ClNO5
- Average molar mass
- 425.9 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 3-((R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3607973YYJYGQGPSOBXTK-VGSWGCGISA-N(R)-tert-butyl 3-((R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59201464
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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