(2S,6R)-2,6-dimethylpiperazine-1,4-diium

C6H16N2+2 — CID 6950260

IUPAC(2S,6R)-2,6-dimethylpiperazine-1,4-diium
SMILESC[C@@H]1C[NH2+]C[C@H](C)[NH2+]1
InChIInChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/p+2/t5-,6+
InChIKeyIFNWESYYDINUHV-OLQVQODUSA-P
MW116.21 g/mol
LogP-2.10
Rot. Bonds

About (2S,6R)-2,6-dimethylpiperazine-1,4-diium

(2S,6R)-2,6-dimethylpiperazine-1,4-diium (PubChem CID 6950260) has the molecular formula C6H16N2+2 and a molecular weight of 116.21 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethylpiperazine-1,4-diium.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethylpiperazine-1,4-diium
PubChem CID6950260
Molecular FormulaC6H16N2+2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name(2S,6R)-2,6-dimethylpiperazine-1,4-diium
SMILESC[C@@H]1C[NH2+]C[C@H](C)[NH2+]1
InChIInChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/p+2/t5-,6+
InChIKeyIFNWESYYDINUHV-OLQVQODUSA-P
XLogP-2.10
TPSA33.22 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,6S)-2,6-dimethylpiperidin-1-ium
CID 6560360
(3S,5S)-3,5-dimethylpiperidin-1-ium
CID 7058086
2,6-dimethylpiperazin-4-ium
CID 75740716
(1R,5S)-3-azoniabicyclo[3.1.0]hexane
CID 23240088
(3S)-3-methylpiperidin-1-ium
CID 6994394
2-methylpiperazin-4-ium
CID 102493129
(2R,6S)-2,6-dimethylpiperidin-1-ium;tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139108647
(2R)-2-methylpiperazine-1,4-diium;bis((2S,3S)-2,3,4-trihydroxy-4-oxobutanoate);hydrate
CID 139060828
4-methoxy-2-methylpyrrolidin-1-ium
CID 163800280
(2S)-2-methylpyrrolidin-1-ium
CID 6999701
(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrol-6-ium
CID 138976577
(3R,4S)-4-fluoro-3-methylpiperidin-1-ium chloride
CID 134827939

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethylpiperazine-1,4-diium?
The IUPAC name of (2S,6R)-2,6-dimethylpiperazine-1,4-diium (CID 6950260) is (2S,6R)-2,6-dimethylpiperazine-1,4-diium.
What is the SMILES notation for (2S,6R)-2,6-dimethylpiperazine-1,4-diium?
The canonical SMILES for (2S,6R)-2,6-dimethylpiperazine-1,4-diium is C[C@@H]1C[NH2+]C[C@H](C)[NH2+]1.
What is the InChIKey of (2S,6R)-2,6-dimethylpiperazine-1,4-diium?
The InChIKey is IFNWESYYDINUHV-OLQVQODUSA-P. The full InChI is InChI=1S/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H3/p+2/t5-,6+.
What are the key properties of (2S,6R)-2,6-dimethylpiperazine-1,4-diium?
(2S,6R)-2,6-dimethylpiperazine-1,4-diium has a molecular weight of 116.21 g/mol, XLogP of -2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethylpiperazine-1,4-diium is sourced from PubChem (CID 6950260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).