1-hydroxy-1-oxidopiperazin-1-ium

C4H10N2O2 — CID 87244759

IUPAC1-hydroxy-1-oxidopiperazin-1-ium
SMILES[O-][N+]1(O)CCNCC1
InChIInChI=1S/C4H10N2O2/c7-6(8)3-1-5-2-4-6/h5,7H,1-4H2
InChIKeyCCBOOLMZHVGUJX-UHFFFAOYSA-N
MW118.14 g/mol
LogP-0.71
Rot. Bonds

About 1-hydroxy-1-oxidopiperazin-1-ium

1-hydroxy-1-oxidopiperazin-1-ium (PubChem CID 87244759) has the molecular formula C4H10N2O2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 1-hydroxy-1-oxidopiperazin-1-ium.

Molecular Properties

Compound Name1-hydroxy-1-oxidopiperazin-1-ium
PubChem CID87244759
Molecular FormulaC4H10N2O2
Molecular Weight118.14 g/mol
Exact Mass118.07
IUPAC Name1-hydroxy-1-oxidopiperazin-1-ium
SMILES[O-][N+]1(O)CCNCC1
InChIInChI=1S/C4H10N2O2/c7-6(8)3-1-5-2-4-6/h5,7H,1-4H2
InChIKeyCCBOOLMZHVGUJX-UHFFFAOYSA-N
XLogP-0.71
TPSA55.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-methylpiperazin-1-ium
CID 89307990
1-methyl-1-oxidopiperazin-1-ium;dihydrate
CID 86734634
1-hydroxy-1-oxidopiperidin-1-ium
CID 87246241
1-hydroxy-1-oxidopyrazolidin-1-ium
CID 88786929
1-oxidoimidazolidin-1-ium-1-amine
CID 87731707
1-hydroxy-1-prop-2-enylpiperazin-1-ium
CID 173410643
1-carbonochloridoylpiperazin-1-ium-1-carboxylate
CID 88748408
1-oxidoimidazolidin-1-ium-1-carbonyl chloride
CID 88763643
2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
CID 22564637
(1-methylpiperazin-1-ium-1-yl)arsane
CID 173369166
1-heptyl-1-oxidopiperazin-1-ium
CID 56612232
aziridine;polane
CID 173008983

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-oxidopiperazin-1-ium?
The IUPAC name of 1-hydroxy-1-oxidopiperazin-1-ium (CID 87244759) is 1-hydroxy-1-oxidopiperazin-1-ium.
What is the SMILES notation for 1-hydroxy-1-oxidopiperazin-1-ium?
The canonical SMILES for 1-hydroxy-1-oxidopiperazin-1-ium is [O-][N+]1(O)CCNCC1.
What is the InChIKey of 1-hydroxy-1-oxidopiperazin-1-ium?
The InChIKey is CCBOOLMZHVGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2/c7-6(8)3-1-5-2-4-6/h5,7H,1-4H2.
What are the key properties of 1-hydroxy-1-oxidopiperazin-1-ium?
1-hydroxy-1-oxidopiperazin-1-ium has a molecular weight of 118.14 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-oxidopiperazin-1-ium is sourced from PubChem (CID 87244759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).