Basic information
- CAS
553657-42-4- Standard SMILES
O=C(NCc1ccccc1)N1CCN(c2ccccc2F)CC1- InChIKey
PBHKJSOWRRAFSG-UHFFFAOYSA-N- Molecular formula
- C18H20FN3O
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.15904043
Names & identifiers
- Preferred name
- N-benzyl-4-(2-fluorophenyl)piperazine-1-carboxamide
- IUPAC
- N-benzyl-4-(2-fluorophenyl)piperazine-1-carboxamide
Names & synonyms
4-(2-Fluoro-phenyl)-piperazine-1-carboxylic acid benzylamideOprea1_004301Oprea1_165300MLS000073119N-benzyl-4-(2-fluorophenyl)piperazine-1-carboxamideCHEMBL1382677DTXSID201187213HMS2287L18AKOS000692874553657-42-4SMR000004430SR-01000338836
Show more names
SR-01000338836-14-(2-Fluorophenyl)-N-(phenylmethyl)-1-piperazinecarboxamide
Database identifiers
- CAS
553657-42-4- PubChem CID
- 650904
- DTXSID
DTXSID201187213- ChEMBL
CHEMBL1382677
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…