2-(4-methylmorpholin-4-ium-4-yl)ethanol

C7H16NO2+ — CID 840622

IUPAC2-(4-methylmorpholin-4-ium-4-yl)ethanol
SMILESC[N+]1(CCO)CCOCC1
InChIInChI=1S/C7H16NO2/c1-8(2-5-9)3-6-10-7-4-8/h9H,2-7H2,1H3/q+1
InChIKeyHCQVOEBHAJXJSJ-UHFFFAOYSA-N
MW146.21 g/mol
LogP-0.54
Rot. Bonds2

About 2-(4-methylmorpholin-4-ium-4-yl)ethanol

2-(4-methylmorpholin-4-ium-4-yl)ethanol (PubChem CID 840622) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-(4-methylmorpholin-4-ium-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-methylmorpholin-4-ium-4-yl)ethanol
PubChem CID840622
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name2-(4-methylmorpholin-4-ium-4-yl)ethanol
SMILESC[N+]1(CCO)CCOCC1
InChIInChI=1S/C7H16NO2/c1-8(2-5-9)3-6-10-7-4-8/h9H,2-7H2,1H3/q+1
InChIKeyHCQVOEBHAJXJSJ-UHFFFAOYSA-N
XLogP-0.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-methylmorpholin-4-ium-4-yl)ethanol?
The IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)ethanol (CID 840622) is 2-(4-methylmorpholin-4-ium-4-yl)ethanol.
What is the SMILES notation for 2-(4-methylmorpholin-4-ium-4-yl)ethanol?
The canonical SMILES for 2-(4-methylmorpholin-4-ium-4-yl)ethanol is C[N+]1(CCO)CCOCC1.
What is the InChIKey of 2-(4-methylmorpholin-4-ium-4-yl)ethanol?
The InChIKey is HCQVOEBHAJXJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2/c1-8(2-5-9)3-6-10-7-4-8/h9H,2-7H2,1H3/q+1.
What are the key properties of 2-(4-methylmorpholin-4-ium-4-yl)ethanol?
2-(4-methylmorpholin-4-ium-4-yl)ethanol has a molecular weight of 146.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-4-ium-4-yl)ethanol is sourced from PubChem (CID 840622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).