4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide

C14H30I2N2O — CID 3048055

IUPAC4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide
SMILESC[N+]1(C)CCC(CC[N+]2(C)CCOCC2)CC1.[I-].[I-]
InChIInChI=1S/C14H30N2O.2HI/c1-15(2)7-4-14(5-8-15)6-9-16(3)10-12-17-13-11-16;;/h14H,4-13H2,1-3H3;2*1H/q+2;;/p-2
InChIKeyXWSYYWABEPNTFA-UHFFFAOYSA-L
MW496.22 g/mol
LogP-4.65
Rot. Bonds3

About 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide

4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide (PubChem CID 3048055) has the molecular formula C14H30I2N2O and a molecular weight of 496.22 g/mol. Its IUPAC name is 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide.

Molecular Properties

Compound Name4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide
PubChem CID3048055
Molecular FormulaC14H30I2N2O
Molecular Weight496.22 g/mol
Exact Mass496.04
IUPAC Name4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide
SMILESC[N+]1(C)CCC(CC[N+]2(C)CCOCC2)CC1.[I-].[I-]
InChIInChI=1S/C14H30N2O.2HI/c1-15(2)7-4-14(5-8-15)6-9-16(3)10-12-17-13-11-16;;/h14H,4-13H2,1-3H3;2*1H/q+2;;/p-2
InChIKeyXWSYYWABEPNTFA-UHFFFAOYSA-L
XLogP-4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.22
LogP ≤ 5-4.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide 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-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide?
The IUPAC name of 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide (CID 3048055) is 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide.
What is the SMILES notation for 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide?
The canonical SMILES for 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide is C[N+]1(C)CCC(CC[N+]2(C)CCOCC2)CC1.[I-].[I-].
What is the InChIKey of 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide?
The InChIKey is XWSYYWABEPNTFA-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H30N2O.2HI/c1-15(2)7-4-14(5-8-15)6-9-16(3)10-12-17-13-11-16;;/h14H,4-13H2,1-3H3;2*1H/q+2;;/p-2.
What are the key properties of 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide?
4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide has a molecular weight of 496.22 g/mol, XLogP of -4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium diiodide is sourced from PubChem (CID 3048055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).