1-hydroxy-1-methylpiperazin-1-ium

C5H13N2O+ — CID 89307990

IUPAC1-hydroxy-1-methylpiperazin-1-ium
SMILESC[N+]1(O)CCNCC1
InChIInChI=1S/C5H13N2O/c1-7(8)4-2-6-3-5-7/h6,8H,2-5H2,1H3/q+1
InChIKeyOZRCTOBSQZSSTN-UHFFFAOYSA-N
MW117.17 g/mol
LogP-0.57
Rot. Bonds

About 1-hydroxy-1-methylpiperazin-1-ium

1-hydroxy-1-methylpiperazin-1-ium (PubChem CID 89307990) has the molecular formula C5H13N2O+ and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-hydroxy-1-methylpiperazin-1-ium.

Molecular Properties

Compound Name1-hydroxy-1-methylpiperazin-1-ium
PubChem CID89307990
Molecular FormulaC5H13N2O+
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-hydroxy-1-methylpiperazin-1-ium
SMILESC[N+]1(O)CCNCC1
InChIInChI=1S/C5H13N2O/c1-7(8)4-2-6-3-5-7/h6,8H,2-5H2,1H3/q+1
InChIKeyOZRCTOBSQZSSTN-UHFFFAOYSA-N
XLogP-0.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 86734634
1-methylpiperazin-1-ium-1-amine;chloride;hydrochloride
CID 19009662
1-hydroxy-1-prop-2-enylpiperazin-1-ium
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2-[1-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanol
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CID 70330548
1-[1-(1-sulfoethyl)piperazin-1-ium-1-yl]ethanesulfonic acid
CID 54312940
1-tert-butylpiperazin-1-ium-1-carboxamide
CID 67462165
1,4,7,10,13,16,19,22-octazacyclotetracosane
CID 6395032
1-cycloheptyl-1-methyl-1,4-diazepan-1-ium
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1-(4-fluorophenyl)-1-methylpiperazin-1-ium chloride
CID 69099342

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-methylpiperazin-1-ium?
The IUPAC name of 1-hydroxy-1-methylpiperazin-1-ium (CID 89307990) is 1-hydroxy-1-methylpiperazin-1-ium.
What is the SMILES notation for 1-hydroxy-1-methylpiperazin-1-ium?
The canonical SMILES for 1-hydroxy-1-methylpiperazin-1-ium is C[N+]1(O)CCNCC1.
What is the InChIKey of 1-hydroxy-1-methylpiperazin-1-ium?
The InChIKey is OZRCTOBSQZSSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2O/c1-7(8)4-2-6-3-5-7/h6,8H,2-5H2,1H3/q+1.
What are the key properties of 1-hydroxy-1-methylpiperazin-1-ium?
1-hydroxy-1-methylpiperazin-1-ium has a molecular weight of 117.17 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-methylpiperazin-1-ium is sourced from PubChem (CID 89307990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).