2-morpholin-4-ium-4-ylethanol iodide

C6H14INO2 — CID 89439326

IUPAC2-morpholin-4-ium-4-ylethanol iodide
SMILESOCC[NH+]1CCOCC1.[I-]
InChIInChI=1S/C6H13NO2.HI/c8-4-1-7-2-5-9-6-3-7;/h8H,1-6H2;1H
InChIKeyAIGWDYQXJIVCAX-UHFFFAOYSA-N
MW259.09 g/mol
LogP-5.10
Rot. Bonds2

About 2-morpholin-4-ium-4-ylethanol iodide

2-morpholin-4-ium-4-ylethanol iodide (PubChem CID 89439326) has the molecular formula C6H14INO2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-ylethanol iodide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-ylethanol iodide
PubChem CID89439326
Molecular FormulaC6H14INO2
Molecular Weight259.09 g/mol
Exact Mass259.01
IUPAC Name2-morpholin-4-ium-4-ylethanol iodide
SMILESOCC[NH+]1CCOCC1.[I-]
InChIInChI=1S/C6H13NO2.HI/c8-4-1-7-2-5-9-6-3-7;/h8H,1-6H2;1H
InChIKeyAIGWDYQXJIVCAX-UHFFFAOYSA-N
XLogP-5.10
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 5-5.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-morpholin-4-ium-4-yldecan-1-ol iodide
CID 89438909
4-[2-(2-morpholin-4-ium-4-ylethylsulfanyl)ethyl]morpholin-4-ium dichloride
CID 110175239
4-butylmorpholin-4-ium
CID 18931037
4-[2-(2-morpholin-4-ium-4-ylethylsulfinyl)ethyl]morpholin-4-ium dichloride
CID 110175298
2-(4-propan-2-ylpiperazine-1,4-diium-1-yl)ethanol
CID 7330451
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholin-4-ium
CID 140879614
acetonitrile;4-butylmorpholin-4-ium
CID 86752402
2-hydrazinyl-N-(2-morpholin-4-ium-4-ylethyl)-2-oxoacetamide
CID 7405671
3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propanoate
CID 7059197
2-[13-(2-amino-2-oxoethyl)-1,4,10-trioxa-7,13-diazoniacyclopentadec-7-yl]acetamide
CID 7065669
2-morpholin-4-ium-4-ylethyl 3-sulfanylpropanoate
CID 168757856
N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide
CID 7720034

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-ylethanol iodide?
The IUPAC name of 2-morpholin-4-ium-4-ylethanol iodide (CID 89439326) is 2-morpholin-4-ium-4-ylethanol iodide.
What is the SMILES notation for 2-morpholin-4-ium-4-ylethanol iodide?
The canonical SMILES for 2-morpholin-4-ium-4-ylethanol iodide is OCC[NH+]1CCOCC1.[I-].
What is the InChIKey of 2-morpholin-4-ium-4-ylethanol iodide?
The InChIKey is AIGWDYQXJIVCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.HI/c8-4-1-7-2-5-9-6-3-7;/h8H,1-6H2;1H.
What are the key properties of 2-morpholin-4-ium-4-ylethanol iodide?
2-morpholin-4-ium-4-ylethanol iodide has a molecular weight of 259.09 g/mol, XLogP of -5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-ylethanol iodide is sourced from PubChem (CID 89439326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).