2-(4-methylpiperazin-1-yl)ethyl hypoiodite

C7H15IN2O — CID 139514479

IUPAC2-(4-methylpiperazin-1-yl)ethyl hypoiodite
SMILESCN1CCN(CCOI)CC1
InChIInChI=1S/C7H15IN2O/c1-9-2-4-10(5-3-9)6-7-11-8/h2-7H2,1H3
InChIKeyVRHBMTZLWNPYIF-UHFFFAOYSA-N
MW270.11 g/mol
LogP0.60
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)ethyl hypoiodite

2-(4-methylpiperazin-1-yl)ethyl hypoiodite (PubChem CID 139514479) has the molecular formula C7H15IN2O and a molecular weight of 270.11 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)ethyl hypoiodite.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)ethyl hypoiodite
PubChem CID139514479
Molecular FormulaC7H15IN2O
Molecular Weight270.11 g/mol
Exact Mass270.02
IUPAC Name2-(4-methylpiperazin-1-yl)ethyl hypoiodite
SMILESCN1CCN(CCOI)CC1
InChIInChI=1S/C7H15IN2O/c1-9-2-4-10(5-3-9)6-7-11-8/h2-7H2,1H3
InChIKeyVRHBMTZLWNPYIF-UHFFFAOYSA-N
XLogP0.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl hypoiodite?
The IUPAC name of 2-(4-methylpiperazin-1-yl)ethyl hypoiodite (CID 139514479) is 2-(4-methylpiperazin-1-yl)ethyl hypoiodite.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)ethyl hypoiodite?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)ethyl hypoiodite is CN1CCN(CCOI)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)ethyl hypoiodite?
The InChIKey is VRHBMTZLWNPYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2O/c1-9-2-4-10(5-3-9)6-7-11-8/h2-7H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)ethyl hypoiodite?
2-(4-methylpiperazin-1-yl)ethyl hypoiodite has a molecular weight of 270.11 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)ethyl hypoiodite is sourced from PubChem (CID 139514479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).