piperazine-1,4-diium diacetate

C8H18N2O4 — CID 139082665

IUPACpiperazine-1,4-diium diacetate
SMILESC1C[NH2+]CC[NH2+]1.CC(=O)[O-].CC(=O)[O-]
InChIInChI=1S/C4H10N2.2C2H4O2/c1-2-6-4-3-5-1;2*1-2(3)4/h5-6H,1-4H2;2*1H3,(H,3,4)
InChIKeyQLNXEIHDVAGZKV-UHFFFAOYSA-N
MW206.24 g/mol
LogP-5.36
Rot. Bonds

About piperazine-1,4-diium diacetate

piperazine-1,4-diium diacetate (PubChem CID 139082665) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is piperazine-1,4-diium diacetate.

Molecular Properties

Compound Namepiperazine-1,4-diium diacetate
PubChem CID139082665
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Namepiperazine-1,4-diium diacetate
SMILESC1C[NH2+]CC[NH2+]1.CC(=O)[O-].CC(=O)[O-]
InChIInChI=1S/C4H10N2.2C2H4O2/c1-2-6-4-3-5-1;2*1-2(3)4/h5-6H,1-4H2;2*1H3,(H,3,4)
InChIKeyQLNXEIHDVAGZKV-UHFFFAOYSA-N
XLogP-5.36
TPSA113.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-5.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine-1,4-diium diacetate?
The IUPAC name of piperazine-1,4-diium diacetate (CID 139082665) is piperazine-1,4-diium diacetate.
What is the SMILES notation for piperazine-1,4-diium diacetate?
The canonical SMILES for piperazine-1,4-diium diacetate is C1C[NH2+]CC[NH2+]1.CC(=O)[O-].CC(=O)[O-].
What is the InChIKey of piperazine-1,4-diium diacetate?
The InChIKey is QLNXEIHDVAGZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2C2H4O2/c1-2-6-4-3-5-1;2*1-2(3)4/h5-6H,1-4H2;2*1H3,(H,3,4).
What are the key properties of piperazine-1,4-diium diacetate?
piperazine-1,4-diium diacetate has a molecular weight of 206.24 g/mol, XLogP of -5.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,4-diium diacetate is sourced from PubChem (CID 139082665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).