2,6-dimethylpiperazin-4-ium

C6H15N2+ — CID 75740716

IUPAC2,6-dimethylpiperazin-4-ium
SMILESCC1C[NH2+]CC(C)N1
InChIInChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/p+1
InChIKeyIFNWESYYDINUHV-UHFFFAOYSA-O
MW115.20 g/mol
LogP-1.07
Rot. Bonds

About 2,6-dimethylpiperazin-4-ium

2,6-dimethylpiperazin-4-ium (PubChem CID 75740716) has the molecular formula C6H15N2+ and a molecular weight of 115.20 g/mol. Its IUPAC name is 2,6-dimethylpiperazin-4-ium.

Molecular Properties

Compound Name2,6-dimethylpiperazin-4-ium
PubChem CID75740716
Molecular FormulaC6H15N2+
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Name2,6-dimethylpiperazin-4-ium
SMILESCC1C[NH2+]CC(C)N1
InChIInChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/p+1
InChIKeyIFNWESYYDINUHV-UHFFFAOYSA-O
XLogP-1.07
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpiperazin-4-ium?
The IUPAC name of 2,6-dimethylpiperazin-4-ium (CID 75740716) is 2,6-dimethylpiperazin-4-ium.
What is the SMILES notation for 2,6-dimethylpiperazin-4-ium?
The canonical SMILES for 2,6-dimethylpiperazin-4-ium is CC1C[NH2+]CC(C)N1.
What is the InChIKey of 2,6-dimethylpiperazin-4-ium?
The InChIKey is IFNWESYYDINUHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/p+1.
What are the key properties of 2,6-dimethylpiperazin-4-ium?
2,6-dimethylpiperazin-4-ium has a molecular weight of 115.20 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpiperazin-4-ium is sourced from PubChem (CID 75740716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).