tert-Butyl 4-{4-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-fluorophenoxy}piperidine-1-carboxylate
Basic information
- CAS
696589-25-0- Standard SMILES
CCOC(=O)/C=C/c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1F- InChIKey
BTQHJUFAVYXHDQ-VQHVLOKHSA-N- Molecular formula
- C21H28FNO5
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.19515116
Names & identifiers
- Preferred name
- tert-Butyl 4-{4-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-fluorophenoxy}piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-fluorophenoxy]piperidine-1-carboxylate
Names & synonyms
DTXSID3011141961,1-Dimethylethyl 4-[4-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-3-fluorophenoxy]-1-piperidinecarboxylate696589-25-0tert-Butyl 4-{4-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]-3-fluorophenoxy}piperidine-1-carboxylate
Database identifiers
- CAS
696589-25-0- PubChem CID
- 165340433
- DTXSID
DTXSID301114196
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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