(R)-tert-butyl 3-((R)-(3-chloro-5-fluorophenyl)(2-(methoxycarbonylamino)ethoxy)methyl)piperidine-1-carboxylate
Basic information
- Standard SMILES
COC(=O)NCCO[C@@H](c1cc(F)cc(Cl)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1- InChIKey
XKAHDQADTVHISS-RDTXWAMCSA-N- Molecular formula
- C21H30ClFN2O5
- Average molar mass
- 444.9 g/mol
Names & identifiers
- Preferred name
- (R)-tert-butyl 3-((R)-(3-chloro-5-fluorophenyl)(2-(methoxycarbonylamino)ethoxy)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[(R)-(3-chloro-5-fluorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2330013XKAHDQADTVHISS-RDTXWAMCSA-N(R)-tert-butyl 3-((R)-(3-chloro-5-fluorophenyl)(2-(methoxycarbonylamino)ethoxy)methyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59201486
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 574
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Related reactions
3 records
Compound notes
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