1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(4-fluorophenyl)-, (E)-2-butenedioate (1:1)
Basic information
- CAS
156809-98-2- Standard SMILES
O=C(O)/C=C/C(=O)O.OCCN1CCN(C(c2ccccc2)c2cccc(-c3ccc(F)cc3)c2)CC1- InChIKey
WMROGQRHRFKSDF-WLHGVMLRSA-N- Molecular formula
- C29H31FN2O5
- Average molar mass
- 506.6 g/mol
- Monoisotopic mass
- 506.22170026
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(4-fluorophenyl)-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;2-[4-[[3-(4-fluorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
Names & synonyms
1-Piperazineethanol, 4-(diphenylmethyl)-alpha-(4-fluorophenyl)-, (E)-2-butenedioate (1:1)156809-98-2RefChem:10565902-(4-Benzhydrylpiperazine-1-yl)-1-(4-fluorophenyl)ethanol fumarate
Database identifiers
- CAS
156809-98-2- PubChem CID
- 6448988
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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