1-[1-(3,4-diiodophenyl)ethyl]piperazine

C12H16I2N2 — CID 118911318

IUPAC1-[1-(3,4-diiodophenyl)ethyl]piperazine
SMILESCC(c1ccc(I)c(I)c1)N1CCNCC1
InChIInChI=1S/C12H16I2N2/c1-9(16-6-4-15-5-7-16)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyXFXPSYNMISUXRD-UHFFFAOYSA-N
MW442.08 g/mol
LogP2.86
Rot. Bonds2

About 1-[1-(3,4-diiodophenyl)ethyl]piperazine

1-[1-(3,4-diiodophenyl)ethyl]piperazine (PubChem CID 118911318) has the molecular formula C12H16I2N2 and a molecular weight of 442.08 g/mol. Its IUPAC name is 1-[1-(3,4-diiodophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(3,4-diiodophenyl)ethyl]piperazine
PubChem CID118911318
Molecular FormulaC12H16I2N2
Molecular Weight442.08 g/mol
Exact Mass441.94
IUPAC Name1-[1-(3,4-diiodophenyl)ethyl]piperazine
SMILESCC(c1ccc(I)c(I)c1)N1CCNCC1
InChIInChI=1S/C12H16I2N2/c1-9(16-6-4-15-5-7-16)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3
InChIKeyXFXPSYNMISUXRD-UHFFFAOYSA-N
XLogP2.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.08
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(3,4-diiodophenyl)ethyl]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

2,6-diiodo-4-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171283859
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
4-[(1R)-1-piperazin-1-ylethyl]benzonitrile
CID 93464434
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[1-(3-chloro-4-fluorophenyl)ethyl]piperazine
CID 61057488
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole
CID 171277845
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
1-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171166411
6-[(1S)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171277846

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-diiodophenyl)ethyl]piperazine?
The IUPAC name of 1-[1-(3,4-diiodophenyl)ethyl]piperazine (CID 118911318) is 1-[1-(3,4-diiodophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(3,4-diiodophenyl)ethyl]piperazine?
The canonical SMILES for 1-[1-(3,4-diiodophenyl)ethyl]piperazine is CC(c1ccc(I)c(I)c1)N1CCNCC1.
What is the InChIKey of 1-[1-(3,4-diiodophenyl)ethyl]piperazine?
The InChIKey is XFXPSYNMISUXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16I2N2/c1-9(16-6-4-15-5-7-16)10-2-3-11(13)12(14)8-10/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 1-[1-(3,4-diiodophenyl)ethyl]piperazine?
1-[1-(3,4-diiodophenyl)ethyl]piperazine has a molecular weight of 442.08 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-diiodophenyl)ethyl]piperazine is sourced from PubChem (CID 118911318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).