3-Benzyloxycarbonylamino-3-(1,1-difluoro-allyl)-piperidine-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
C=CC(F)(F)C1(NC(=O)OCc2ccccc2)CCCN(C(=O)OC(C)(C)C)C1- InChIKey
HMNDSHSIULNFNA-UHFFFAOYSA-N- Molecular formula
- C21H28F2N2O4
- Average molar mass
- 410.5 g/mol
Names & identifiers
- Preferred name
- 3-Benzyloxycarbonylamino-3-(1,1-difluoro-allyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(1,1-difluoroprop-2-enyl)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
Names & synonyms
3-benzyloxycarbonylamino-3-(1,1-difluoro-allyl)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL1950723
Database identifiers
- PubChem CID
- 58293296
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 600
Related reactions
3 records
Compound notes
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