Phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
Basic information
- CAS
898920-32-6- Standard SMILES
O=C(Oc1ccccc1)N1CCN(c2ccccc2F)CC1- InChIKey
VZXNCYURITYJLV-UHFFFAOYSA-N- Molecular formula
- C17H17FN2O2
- Average molar mass
- 300.33 g/mol
- Monoisotopic mass
- 300.12740595
Names & identifiers
- Preferred name
- Phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
- IUPAC
- phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate
Names & synonyms
phenyl 4-(2-fluorophenyl)piperazine-1-carboxylate898920-32-6MLS001216343CHEMBL1360772DTXSID501327395HMS2883A05STL563751AKOS029896966CCG-275466SMR000544353
Database identifiers
- CAS
898920-32-6- PubChem CID
- 3414404
- DTXSID
DTXSID501327395- ChEMBL
CHEMBL1360772
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Experimental & physicochemical properties
Solubility39.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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