2-(4-ethylpiperazine-1,4-diium-1-yl)acetate

C8H17N2O2+ — CID 7258526

IUPAC2-(4-ethylpiperazine-1,4-diium-1-yl)acetate
SMILESCC[NH+]1CC[NH+](CC(=O)[O-])CC1
InChIInChI=1S/C8H16N2O2/c1-2-9-3-5-10(6-4-9)7-8(11)12/h2-7H2,1H3,(H,11,12)/p+1
InChIKeyWUEHSFSWKSCHCK-UHFFFAOYSA-O
MW173.24 g/mol
LogP-4.46
Rot. Bonds3

About 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate

2-(4-ethylpiperazine-1,4-diium-1-yl)acetate (PubChem CID 7258526) has the molecular formula C8H17N2O2+ and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate.

Molecular Properties

Compound Name2-(4-ethylpiperazine-1,4-diium-1-yl)acetate
PubChem CID7258526
Molecular FormulaC8H17N2O2+
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC Name2-(4-ethylpiperazine-1,4-diium-1-yl)acetate
SMILESCC[NH+]1CC[NH+](CC(=O)[O-])CC1
InChIInChI=1S/C8H16N2O2/c1-2-9-3-5-10(6-4-9)7-8(11)12/h2-7H2,1H3,(H,11,12)/p+1
InChIKeyWUEHSFSWKSCHCK-UHFFFAOYSA-O
XLogP-4.46
TPSA49.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-4.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate
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1-ethylpiperidin-1-ium;hydrogen sulfate
CID 139910002
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propanoate;rubidium(1+)
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CID 57352970
CID 57352970
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propanoate;hydrate
CID 19032208
copper(1+);propanoate
CID 22149607
europium(2+);propanoate
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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate?
The IUPAC name of 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate (CID 7258526) is 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate.
What is the SMILES notation for 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate?
The canonical SMILES for 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate is CC[NH+]1CC[NH+](CC(=O)[O-])CC1.
What is the InChIKey of 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate?
The InChIKey is WUEHSFSWKSCHCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H16N2O2/c1-2-9-3-5-10(6-4-9)7-8(11)12/h2-7H2,1H3,(H,11,12)/p+1.
What are the key properties of 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate?
2-(4-ethylpiperazine-1,4-diium-1-yl)acetate has a molecular weight of 173.24 g/mol, XLogP of -4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazine-1,4-diium-1-yl)acetate is sourced from PubChem (CID 7258526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).