Basic information
- Standard SMILES
COC(=O)C1(Cc2ccccc2F)CCCN(C(=O)OC(C)(C)C)C1- InChIKey
HFTCNIIONLGPJL-UHFFFAOYSA-N- Molecular formula
- C19H26FNO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.18458647
Names & identifiers
- Preferred name
- 1-tert-Butyl 3-methyl 3-(2-fluorobenzyl)piperidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl 3-[(2-fluorophenyl)methyl]piperidine-1,3-dicarboxylate
Names & synonyms
SCHEMBL9960342HFTCNIIONLGPJL-UHFFFAOYSA-N1-tert-Butyl 3-methyl 3-(2-fluorobenzyl)piperidine-1,3-dicarboxylate
Database identifiers
- PubChem CID
- 67985388
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
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