4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium

C₁₂H₂₆NO₃+ — CID 154509592

About 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium

4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium (PubChem CID 154509592) has the molecular formula C₁₂H₂₆NO₃+ and a molecular weight of 232.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium.

Molecular Properties

• Compound Name: 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium
• PubChem CID: 154509592
• Molecular Formula: C₁₂H₂₆NO₃+
• Molecular Weight: 232.34 g/mol
• Exact Mass: 232.19
• IUPAC Name: 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium
• SMILES: CCC[N+]1(CCOCCOC)CCOCC1
• InChI: InChI=1S/C12H26NO3/c1-3-4-13(5-8-15-9-6-13)7-10-16-12-11-14-2/h3-12H2,1-2H3/q+1
• InChIKey: LCQUEFWQIITWKG-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.34
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?

The IUPAC name of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium (CID 154509592) is 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium.

What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?

The canonical SMILES for 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium is CCC[N+]1(CCOCCOC)CCOCC1.

What is the InChIKey of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?

The InChIKey is LCQUEFWQIITWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO3/c1-3-4-13(5-8-15-9-6-13)7-10-16-12-11-14-2/h3-12H2,1-2H3/q+1.

What are the key properties of 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium?

4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium has a molecular weight of 232.34 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2-methoxyethoxy)ethyl]-4-propylmorpholin-4-ium is sourced from PubChem (CID 154509592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154509592 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.