piperazine-1,4-diium

C4H12N2+2 — CID 4057011

IUPACpiperazine-1,4-diium
SMILESC1C[NH2+]CC[NH2+]1
InChIInChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+2
InChIKeyGLUUGHFHXGJENI-UHFFFAOYSA-P
MW88.15 g/mol
LogP-2.87
Rot. Bonds

About piperazine-1,4-diium

piperazine-1,4-diium (PubChem CID 4057011) has the molecular formula C4H12N2+2 and a molecular weight of 88.15 g/mol. Its IUPAC name is piperazine-1,4-diium.

Molecular Properties

Compound Namepiperazine-1,4-diium
PubChem CID4057011
Molecular FormulaC4H12N2+2
Molecular Weight88.15 g/mol
Exact Mass88.10
IUPAC Namepiperazine-1,4-diium
SMILESC1C[NH2+]CC[NH2+]1
InChIInChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+2
InChIKeyGLUUGHFHXGJENI-UHFFFAOYSA-P
XLogP-2.87
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-2.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of piperazine-1,4-diium?
The IUPAC name of piperazine-1,4-diium (CID 4057011) is piperazine-1,4-diium.
What is the SMILES notation for piperazine-1,4-diium?
The canonical SMILES for piperazine-1,4-diium is C1C[NH2+]CC[NH2+]1.
What is the InChIKey of piperazine-1,4-diium?
The InChIKey is GLUUGHFHXGJENI-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+2.
What are the key properties of piperazine-1,4-diium?
piperazine-1,4-diium has a molecular weight of 88.15 g/mol, XLogP of -2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1,4-diium is sourced from PubChem (CID 4057011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).