1-Piperazineacetic acid, 4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-, dimaleate, sesquihydrate
Basic information
- CAS
61897-03-8- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)CN1CCN(CCOC(c2ccccc2)c2ccc(F)cc2)CC1- InChIKey
IBANHPKDJDCREV-LVEZLNDCSA-N- Molecular formula
- C29H33FN2O11
- Average molar mass
- 604.6 g/mol
- Monoisotopic mass
- 604.20683804
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-, dimaleate, sesquihydrate
- IUPAC
- bis((E)-but-2-enedioic acid);2-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]acetic acid
Names & synonyms
1-Piperazineacetic acid, 4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-, dimaleate, sesquihydrate61897-03-8RefChem:10564164-(2-(p-Fluorophenyl-phenylmethoxy)ethyl)-1-piperazineacetic acid dimaleate sesquihydrate
Database identifiers
- CAS
61897-03-8- PubChem CID
- 6446523
Properties
Computed structural properties
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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