4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium

C13H28N3O3+3 — CID 6946528

IUPAC4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium
SMILESC1C[NH+](C([NH+]2CCOCC2)[NH+]2CCOCC2)CCO1
InChIInChI=1S/C13H25N3O3/c1-7-17-8-2-14(1)13(15-3-9-18-10-4-15)16-5-11-19-12-6-16/h13H,1-12H2/p+3
InChIKeyIQCFCBJRMVBYOH-UHFFFAOYSA-Q
MW274.38 g/mol
LogP-4.98
Rot. Bonds3

About 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium

4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium (PubChem CID 6946528) has the molecular formula C13H28N3O3+3 and a molecular weight of 274.38 g/mol. Its IUPAC name is 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium
PubChem CID6946528
Molecular FormulaC13H28N3O3+3
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Name4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium
SMILESC1C[NH+](C([NH+]2CCOCC2)[NH+]2CCOCC2)CCO1
InChIInChI=1S/C13H25N3O3/c1-7-17-8-2-14(1)13(15-3-9-18-10-4-15)16-5-11-19-12-6-16/h13H,1-12H2/p+3
InChIKeyIQCFCBJRMVBYOH-UHFFFAOYSA-Q
XLogP-4.98
TPSA41.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 5-4.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium?
The IUPAC name of 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium (CID 6946528) is 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium is C1C[NH+](C([NH+]2CCOCC2)[NH+]2CCOCC2)CCO1.
What is the InChIKey of 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium?
The InChIKey is IQCFCBJRMVBYOH-UHFFFAOYSA-Q. The full InChI is InChI=1S/C13H25N3O3/c1-7-17-8-2-14(1)13(15-3-9-18-10-4-15)16-5-11-19-12-6-16/h13H,1-12H2/p+3.
What are the key properties of 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium?
4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium has a molecular weight of 274.38 g/mol, XLogP of -4.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[di(morpholin-4-ium-4-yl)methyl]morpholin-4-ium is sourced from PubChem (CID 6946528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).