2-ethyl-1-(4-iodophenyl)piperazine

C12H17IN2 — CID 64931488

IUPAC2-ethyl-1-(4-iodophenyl)piperazine
SMILESCCC1CNCCN1c1ccc(I)cc1
InChIInChI=1S/C12H17IN2/c1-2-11-9-14-7-8-15(11)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3
InChIKeyWQHVFEKTZOLURS-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.48
Rot. Bonds2

About 2-ethyl-1-(4-iodophenyl)piperazine

2-ethyl-1-(4-iodophenyl)piperazine (PubChem CID 64931488) has the molecular formula C12H17IN2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-ethyl-1-(4-iodophenyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(4-iodophenyl)piperazine
PubChem CID64931488
Molecular FormulaC12H17IN2
Molecular Weight316.19 g/mol
Exact Mass316.04
IUPAC Name2-ethyl-1-(4-iodophenyl)piperazine
SMILESCCC1CNCCN1c1ccc(I)cc1
InChIInChI=1S/C12H17IN2/c1-2-11-9-14-7-8-15(11)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3
InChIKeyWQHVFEKTZOLURS-UHFFFAOYSA-N
XLogP2.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-(4-iodophenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-ethylpiperazin-1-yl)phenyl]propan-2-ol
CID 70659457
1-[4-[(2S)-2-ethylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 171406933
2-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine
CID 64933076
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridin-2-one
CID 138472332
1-phenyl-2-propylpiperazine
CID 70549920
[3-(2-ethylpiperazin-1-yl)phenyl]methanamine
CID 174498888
1-(2-chloro-4-methylphenyl)-2-ethylpiperazine
CID 64931290
4-[(2R)-2-ethylpiperazin-1-yl]-1H-pyridazin-6-one
CID 138484119
[(2R)-1-(4-propan-2-ylphenyl)piperazin-2-yl]methanol
CID 138530480
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
2-ethyl-1-pyridin-2-ylpiperazine
CID 63600435
[(2R)-1-phenylpiperazin-2-yl]methanol
CID 139491913

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-iodophenyl)piperazine?
The IUPAC name of 2-ethyl-1-(4-iodophenyl)piperazine (CID 64931488) is 2-ethyl-1-(4-iodophenyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(4-iodophenyl)piperazine?
The canonical SMILES for 2-ethyl-1-(4-iodophenyl)piperazine is CCC1CNCCN1c1ccc(I)cc1.
What is the InChIKey of 2-ethyl-1-(4-iodophenyl)piperazine?
The InChIKey is WQHVFEKTZOLURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2/c1-2-11-9-14-7-8-15(11)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3.
What are the key properties of 2-ethyl-1-(4-iodophenyl)piperazine?
2-ethyl-1-(4-iodophenyl)piperazine has a molecular weight of 316.19 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-iodophenyl)piperazine is sourced from PubChem (CID 64931488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).