2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate

C15H30N2O3+2 — CID 3053860

IUPAC2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate
SMILESC[N+]1(CCOC(=O)C[N+]2(C)CCCCC2)CCOCC1
InChIInChI=1S/C15H30N2O3/c1-16(8-11-19-12-9-16)10-13-20-15(18)14-17(2)6-4-3-5-7-17/h3-14H2,1-2H3/q+2
InChIKeyNAZQYHYYGMYIKM-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.64
Rot. Bonds5

About 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate

2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate (PubChem CID 3053860) has the molecular formula C15H30N2O3+2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate.

Molecular Properties

Compound Name2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate
PubChem CID3053860
Molecular FormulaC15H30N2O3+2
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate
SMILESC[N+]1(CCOC(=O)C[N+]2(C)CCCCC2)CCOCC1
InChIInChI=1S/C15H30N2O3/c1-16(8-11-19-12-9-16)10-13-20-15(18)14-17(2)6-4-3-5-7-17/h3-14H2,1-2H3/q+2
InChIKeyNAZQYHYYGMYIKM-UHFFFAOYSA-N
XLogP0.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.64
H-Bond Donors ≤ 50
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 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate?
The IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate (CID 3053860) is 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate.
What is the SMILES notation for 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate?
The canonical SMILES for 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate is C[N+]1(CCOC(=O)C[N+]2(C)CCCCC2)CCOCC1.
What is the InChIKey of 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate?
The InChIKey is NAZQYHYYGMYIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-16(8-11-19-12-9-16)10-13-20-15(18)14-17(2)6-4-3-5-7-17/h3-14H2,1-2H3/q+2.
What are the key properties of 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate?
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate has a molecular weight of 286.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate is sourced from PubChem (CID 3053860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).