Basic information
- Standard SMILES
O=C(N1CCN(Cc2ccccc2)CC1)N1CC(Oc2ccc(F)cc2)C1.O=C(O)/C=C/C(=O)O- InChIKey
XJWRBGBQWZMKEM-WLHGVMLRSA-N- Molecular formula
- C25H28FN3O6
- Average molar mass
- 485.5 g/mol
Names & identifiers
- Preferred name
- 1-[3-(4-Fluorophenoxy)-1-azetidinylcarbonyl]-4-(phenylmethyl)piperazine fumarate
- IUPAC
- (4-benzylpiperazin-1-yl)-[3-(4-fluorophenoxy)azetidin-1-yl]methanone;(E)-but-2-enedioic acid
Names & synonyms
SCHEMBL9595825XJWRBGBQWZMKEM-WLHGVMLRSA-N1-[3-(4-Fluorophenoxy)-1-azetidinylcarbonyl]-4-(phenylmethyl)piperazine fumarate
Database identifiers
- PubChem CID
- 19799593
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 597
Related reactions
4 records
Compound notes
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