piperazin-1-ium

C4H11N2+ — CID 5242433

IUPACpiperazin-1-ium
SMILESC1C[NH2+]CCN1
InChIInChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+1
InChIKeyGLUUGHFHXGJENI-UHFFFAOYSA-O
MW87.15 g/mol
LogP-1.85
Rot. Bonds

About piperazin-1-ium

piperazin-1-ium (PubChem CID 5242433) has the molecular formula C4H11N2+ and a molecular weight of 87.15 g/mol. Its IUPAC name is piperazin-1-ium.

Molecular Properties

Compound Namepiperazin-1-ium
PubChem CID5242433
Molecular FormulaC4H11N2+
Molecular Weight87.15 g/mol
Exact Mass87.09
IUPAC Namepiperazin-1-ium
SMILESC1C[NH2+]CCN1
InChIInChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+1
InChIKeyGLUUGHFHXGJENI-UHFFFAOYSA-O
XLogP-1.85
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze piperazin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperazin-1-ium?
The IUPAC name of piperazin-1-ium (CID 5242433) is piperazin-1-ium.
What is the SMILES notation for piperazin-1-ium?
The canonical SMILES for piperazin-1-ium is C1C[NH2+]CCN1.
What is the InChIKey of piperazin-1-ium?
The InChIKey is GLUUGHFHXGJENI-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2/p+1.
What are the key properties of piperazin-1-ium?
piperazin-1-ium has a molecular weight of 87.15 g/mol, XLogP of -1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ium is sourced from PubChem (CID 5242433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).