Piperazine, 1,1'-ethylenebis(4-benzyl-, trimethiodide

Substructure search Find similar structures

Basic information

CAS: 1057-74-5
Standard SMILES: CI.CI.CI.c1ccc(CN2CCN(CCN3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIKey: WTTYSNIGQYSWRP-UHFFFAOYSA-N
Molecular formula: C27H43I3N4
Average molar mass: 804.4 g/mol
Monoisotopic mass: 804.0622

Names & identifiers

Preferred name: Piperazine, 1,1'-ethylenebis(4-benzyl-, trimethiodide
IUPAC: 1-benzyl-4-[2-(4-benzylpiperazin-1-yl)ethyl]piperazine;iodomethane

Names & synonyms

Piperazine, 1,1'-ethylenebis(4-benzyl-, trimethiodide1057-74-5RefChem:10956281,1'-Ethylenebis(4-benzylpiperazine) trimethiodideDTXSID209096821,1'-(Ethane-1,2-diyl)bis(4-benzylpiperazine)--iodomethane (1/3)

Database identifiers

CAS: 1057-74-5
PubChem CID: 120980
DTXSID: DTXSID20909682

Properties

Computed structural properties

Topological polar surface area: 13 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 376

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…