4-oxido-4-piperidin-4-ylmorpholin-4-ium

C9H18N2O2 — CID 91359353

IUPAC4-oxido-4-piperidin-4-ylmorpholin-4-ium
SMILES[O-][N+]1(C2CCNCC2)CCOCC1
InChIInChI=1S/C9H18N2O2/c12-11(5-7-13-8-6-11)9-1-3-10-4-2-9/h9-10H,1-8H2
InChIKeyGNNPPHHZLQRONA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.08
Rot. Bonds1

About 4-oxido-4-piperidin-4-ylmorpholin-4-ium

4-oxido-4-piperidin-4-ylmorpholin-4-ium (PubChem CID 91359353) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-oxido-4-piperidin-4-ylmorpholin-4-ium.

Molecular Properties

Compound Name4-oxido-4-piperidin-4-ylmorpholin-4-ium
PubChem CID91359353
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-oxido-4-piperidin-4-ylmorpholin-4-ium
SMILES[O-][N+]1(C2CCNCC2)CCOCC1
InChIInChI=1S/C9H18N2O2/c12-11(5-7-13-8-6-11)9-1-3-10-4-2-9/h9-10H,1-8H2
InChIKeyGNNPPHHZLQRONA-UHFFFAOYSA-N
XLogP0.08
TPSA44.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxido-4-piperidin-4-ylmorpholin-4-ium?
The IUPAC name of 4-oxido-4-piperidin-4-ylmorpholin-4-ium (CID 91359353) is 4-oxido-4-piperidin-4-ylmorpholin-4-ium.
What is the SMILES notation for 4-oxido-4-piperidin-4-ylmorpholin-4-ium?
The canonical SMILES for 4-oxido-4-piperidin-4-ylmorpholin-4-ium is [O-][N+]1(C2CCNCC2)CCOCC1.
What is the InChIKey of 4-oxido-4-piperidin-4-ylmorpholin-4-ium?
The InChIKey is GNNPPHHZLQRONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-11(5-7-13-8-6-11)9-1-3-10-4-2-9/h9-10H,1-8H2.
What are the key properties of 4-oxido-4-piperidin-4-ylmorpholin-4-ium?
4-oxido-4-piperidin-4-ylmorpholin-4-ium has a molecular weight of 186.25 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxido-4-piperidin-4-ylmorpholin-4-ium is sourced from PubChem (CID 91359353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).