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

C14H21IN2O — CID 1300408

IUPAC1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
SMILESCCN1CCN(CCOc2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2O/c1-2-16-7-9-17(10-8-16)11-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyWEYRDWWFCJYKOR-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.31
Rot. Bonds5

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

1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine (PubChem CID 1300408) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
PubChem CID1300408
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC Name1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
SMILESCCN1CCN(CCOc2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2O/c1-2-16-7-9-17(10-8-16)11-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3
InChIKeyWEYRDWWFCJYKOR-UHFFFAOYSA-N
XLogP2.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.31
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-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-chloro-3-ethylphenoxy)ethyl]-4-ethylpiperazine
CID 973456
4-[3-(4-iodophenoxy)propyl]thiomorpholine
CID 129115433
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine?
The IUPAC name of 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine (CID 1300408) is 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine?
The canonical SMILES for 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine is CCN1CCN(CCOc2ccc(I)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine?
The InChIKey is WEYRDWWFCJYKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-2-16-7-9-17(10-8-16)11-12-18-14-5-3-13(15)4-6-14/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine?
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine has a molecular weight of 360.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine is sourced from PubChem (CID 1300408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).