Tert-butyl 3-(3-fluoroanilino)piperidine-1-carboxylate
Basic information
- CAS
887584-77-2- Standard SMILES
CC(C)(C)OC(=O)N1CCCC(Nc2cccc(F)c2)C1- InChIKey
WTTNFFBBCOZNCL-UHFFFAOYSA-N- Molecular formula
- C16H23FN2O2
- Average molar mass
- 294.36 g/mol
- Monoisotopic mass
- 294.17435614
Names & identifiers
- Preferred name
- Tert-butyl 3-(3-fluoroanilino)piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-(3-fluoroanilino)piperidine-1-carboxylate
- English name
- 1-Boc-3-(3-fluoro-phenylamino)-piperidine
- Molecular formula
- C16H23FN2O2
- Molecular weight
- 294.36
Names & synonyms
887584-77-21-boc-3-(3-fluorophenylamino)piperidinetert-butyl 3-(3-fluoroanilino)piperidine-1-carboxylateDTXSID80723088AKOS0109048421-Boc-3-(3-fluoro-phenylamino)-piperidine1-Piperidinecarboxylic acid, 3-[(3-fluorophenyl)amino]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
887584-77-2- PubChem CID
- 57355367
- DTXSID
DTXSID80723088
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Physicochemical properties
- Boiling point
- 403 · 403.0±40.0 °C(Predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- pka
- 4.52 · 4.52±0.20(Predicted)
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Related reactions
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Compound notes
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