2-methylpiperazin-4-ium

C5H13N2+ — CID 102493129

IUPAC2-methylpiperazin-4-ium
SMILESCC1C[NH2+]CCN1
InChIInChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/p+1
InChIKeyJOMNTHCQHJPVAZ-UHFFFAOYSA-O
MW101.17 g/mol
LogP-1.46
Rot. Bonds

About 2-methylpiperazin-4-ium

2-methylpiperazin-4-ium (PubChem CID 102493129) has the molecular formula C5H13N2+ and a molecular weight of 101.17 g/mol. Its IUPAC name is 2-methylpiperazin-4-ium.

Molecular Properties

Compound Name2-methylpiperazin-4-ium
PubChem CID102493129
Molecular FormulaC5H13N2+
Molecular Weight101.17 g/mol
Exact Mass101.11
IUPAC Name2-methylpiperazin-4-ium
SMILESCC1C[NH2+]CCN1
InChIInChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/p+1
InChIKeyJOMNTHCQHJPVAZ-UHFFFAOYSA-O
XLogP-1.46
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-methylpiperazin-4-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 2-methylpiperazin-4-ium?
The IUPAC name of 2-methylpiperazin-4-ium (CID 102493129) is 2-methylpiperazin-4-ium.
What is the SMILES notation for 2-methylpiperazin-4-ium?
The canonical SMILES for 2-methylpiperazin-4-ium is CC1C[NH2+]CCN1.
What is the InChIKey of 2-methylpiperazin-4-ium?
The InChIKey is JOMNTHCQHJPVAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/p+1.
What are the key properties of 2-methylpiperazin-4-ium?
2-methylpiperazin-4-ium has a molecular weight of 101.17 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperazin-4-ium is sourced from PubChem (CID 102493129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).