1-Piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethl)-, dimaleate

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Basic information

CAS: 61897-17-4
Standard SMILES: O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIKey: HYWRMUHFEVEJQI-LVEZLNDCSA-N
Molecular formula: C30H34F2N2O11
Average molar mass: 636.6 g/mol
Monoisotopic mass: 636.21306623

Names & identifiers

Preferred name: 1-Piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethl)-, dimaleate
IUPAC: 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid;bis((E)-but-2-enedioic acid)

Names & synonyms

1-Piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethl)-, dimaleate61897-17-4RefChem:10566934-(2-(Bis(p-fluorophenyl)methoxy)ethyl)-1-piperazinepropionic acid dimaleate1-Piperazinepropanoic acid, 4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-, (Z)-2-butenedioate

Database identifiers

CAS: 61897-17-4
PubChem CID: 6446530

Properties

Computed structural properties

Topological polar surface area: 202 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 15
Rotatable bonds: 13
Heavy atoms: 45
Formal charge: 0
Complexity: 583

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Compound notes

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