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

C13H19IN2O — CID 15616300

IUPAC1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOc2ccc(I)cc2)CC1
InChIInChI=1S/C13H19IN2O/c1-15-6-8-16(9-7-15)10-11-17-13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3
InChIKeyCPGNYRUJHOCIGZ-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.92
Rot. Bonds4

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

1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine (PubChem CID 15616300) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
PubChem CID15616300
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOc2ccc(I)cc2)CC1
InChIInChI=1S/C13H19IN2O/c1-15-6-8-16(9-7-15)10-11-17-13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3
InChIKeyCPGNYRUJHOCIGZ-UHFFFAOYSA-N
XLogP1.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
potassium trifluoro-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetonitrile
CID 43288567
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
1-[2-(4-butan-2-yloxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996187
(1S)-1-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propan-1-ol
CID 82891639
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 118271335
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine (CID 15616300) is 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine is CN1CCN(CCOc2ccc(I)cc2)CC1.
What is the InChIKey of 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine?
The InChIKey is CPGNYRUJHOCIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-15-6-8-16(9-7-15)10-11-17-13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine?
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine has a molecular weight of 346.21 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine is sourced from PubChem (CID 15616300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).