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

C7H16INO2 — CID 10802192

IUPAC2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide
SMILESC[N+]1(CCO)CCOCC1.[I-]
InChIInChI=1S/C7H16NO2.HI/c1-8(2-5-9)3-6-10-7-4-8;/h9H,2-7H2,1H3;1H/q+1;/p-1
InChIKeyVNXWGOFFZYXBHR-UHFFFAOYSA-M
MW273.11 g/mol
LogP-3.54
Rot. Bonds2

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

2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide (PubChem CID 10802192) has the molecular formula C7H16INO2 and a molecular weight of 273.11 g/mol. Its IUPAC name is 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide.

Molecular Properties

Compound Name2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide
PubChem CID10802192
Molecular FormulaC7H16INO2
Molecular Weight273.11 g/mol
Exact Mass273.02
IUPAC Name2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide
SMILESC[N+]1(CCO)CCOCC1.[I-]
InChIInChI=1S/C7H16NO2.HI/c1-8(2-5-9)3-6-10-7-4-8;/h9H,2-7H2,1H3;1H/q+1;/p-1
InChIKeyVNXWGOFFZYXBHR-UHFFFAOYSA-M
XLogP-3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 5-3.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Morpholinoethanol
CID 61163
4-Morpholineethanol, alpha-methyl-
CID 97957
Morpholinium, 4,4-dimethyl-, iodide (1:1)
CID 102256
4,4-Bis(2-hydroxyethyl)morpholinium chloride
CID 79605
(2S)-1-(morpholin-4-yl)propan-2-ol
CID 6950692
4-(2-(2-Hydroxyethoxy)ethyl)morpholine
CID 458464
4-Morpholineethanol, hydrochloride (1:1)
CID 218673
2-(Morpholin-4-yl)propan-1-ol
CID 10986371
(2S)-2-(morpholin-4-yl)propan-1-ol
CID 51673813
Morpholine, 4-(2-methoxyethyl)-
CID 82460
4-Morpholinemethanol
CID 231939
alpha,2,6-Trimethylmorpholin-4-ylethanol
CID 98999

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide?
The IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide (CID 10802192) is 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide.
What is the SMILES notation for 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide?
The canonical SMILES for 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide is C[N+]1(CCO)CCOCC1.[I-].
What is the InChIKey of 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide?
The InChIKey is VNXWGOFFZYXBHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO2.HI/c1-8(2-5-9)3-6-10-7-4-8;/h9H,2-7H2,1H3;1H/q+1;/p-1.
What are the key properties of 2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide?
2-(4-methylmorpholin-4-ium-4-yl)ethanol iodide has a molecular weight of 273.11 g/mol, XLogP of -3.54, 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 iodide is sourced from PubChem (CID 10802192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).