1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine

C9H19IN2O — CID 122495026

IUPAC1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCI)CC1
InChIInChI=1S/C9H19IN2O/c1-11-3-5-12(6-4-11)7-9-13-8-2-10/h2-9H2,1H3
InChIKeyGWIAMURRBOMLTP-UHFFFAOYSA-N
MW298.17 g/mol
LogP0.69
Rot. Bonds5

About 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine

1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine (PubChem CID 122495026) has the molecular formula C9H19IN2O and a molecular weight of 298.17 g/mol. Its IUPAC name is 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
PubChem CID122495026
Molecular FormulaC9H19IN2O
Molecular Weight298.17 g/mol
Exact Mass298.05
IUPAC Name1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOCCI)CC1
InChIInChI=1S/C9H19IN2O/c1-11-3-5-12(6-4-11)7-9-13-8-2-10/h2-9H2,1H3
InChIKeyGWIAMURRBOMLTP-UHFFFAOYSA-N
XLogP0.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-iodoethyl)-4-methylpiperazine
CID 67574455
2-(4-methylpiperazin-1-yl)ethyl hypoiodite
CID 139514479
4-[2-(4-methylpiperazin-1-yl)ethoxy]butan-1-olate
CID 142385933
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
3-[2-(4-methylpiperazin-1-yl)ethoxymethyl]pentan-3-amine
CID 82892100
1-[2-(4-methylpiperazin-1-yl)ethoxy]propan-2-one
CID 135174637
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
ethane;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
CID 142390319
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
methanamine;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetaldehyde
CID 171070563
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine (CID 122495026) is 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine is CN1CCN(CCOCCI)CC1.
What is the InChIKey of 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine?
The InChIKey is GWIAMURRBOMLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19IN2O/c1-11-3-5-12(6-4-11)7-9-13-8-2-10/h2-9H2,1H3.
What are the key properties of 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine?
1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine has a molecular weight of 298.17 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-iodoethoxy)ethyl]-4-methylpiperazine is sourced from PubChem (CID 122495026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).