Basic information
- Standard SMILES
C[C@H](c1ccc(F)nc1)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C- InChIKey
ROAPWLDYMROUGR-QWHCGFSZSA-N- Molecular formula
- C17H26FN3O2
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.20090524
Names & identifiers
- Preferred name
- tert-butyl(3S)-4-((1R)-1-(6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylate
- IUPAC
- tert-butyl (3S)-4-[(1R)-1-(6-fluoro-3-pyridinyl)ethyl]-3-methylpiperazine-1-carboxylate
Names & synonyms
SCHEMBL3108477ROAPWLDYMROUGR-QWHCGFSZSA-Ntert-butyl (3S)-4-((1R)-1-(6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylatetert-butyl(3S)-4-((1R)-1-(6-fluoro-3-pyridinyl)ethyl)-3-methyl-1-piperazinecarboxylate
Database identifiers
- PubChem CID
- 68514890
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Related reactions
4 records
Compound notes
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