5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine

C16H24ClIN2 — CID 107640020

IUPAC5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
SMILESCCC(C)C1CN(c2ccc(Cl)cc2I)C(CC)CN1
InChIInChI=1S/C16H24ClIN2/c1-4-11(3)15-10-20(13(5-2)9-19-15)16-7-6-12(17)8-14(16)18/h6-8,11,13,15,19H,4-5,9-10H2,1-3H3
InChIKeyLQHZMBYXKIJYCG-UHFFFAOYSA-N
MW406.74 g/mol
LogP4.55
Rot. Bonds4

About 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine

5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine (PubChem CID 107640020) has the molecular formula C16H24ClIN2 and a molecular weight of 406.74 g/mol. Its IUPAC name is 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
PubChem CID107640020
Molecular FormulaC16H24ClIN2
Molecular Weight406.74 g/mol
Exact Mass406.07
IUPAC Name5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine
SMILESCCC(C)C1CN(c2ccc(Cl)cc2I)C(CC)CN1
InChIInChI=1S/C16H24ClIN2/c1-4-11(3)15-10-20(13(5-2)9-19-15)16-7-6-12(17)8-14(16)18/h6-8,11,13,15,19H,4-5,9-10H2,1-3H3
InChIKeyLQHZMBYXKIJYCG-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine 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

1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027
5-butan-2-yl-1-(2-chlorophenyl)-2-ethylpiperazine
CID 64937522
5-butan-2-yl-1-(2,3-dimethylphenyl)-2-ethylpiperazine
CID 64954497
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
CID 107640012
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
5-butan-2-yl-1-(3-chlorophenyl)-2-methylpiperazine
CID 64936737
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-butan-2-yl-1-(3-chlorophenyl)-2-propan-2-ylpiperazine
CID 64936927
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
CID 64936947
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,5-diethylpiperazine
CID 64933723

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine?
The IUPAC name of 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine (CID 107640020) is 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine.
What is the SMILES notation for 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine?
The canonical SMILES for 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine is CCC(C)C1CN(c2ccc(Cl)cc2I)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine?
The InChIKey is LQHZMBYXKIJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClIN2/c1-4-11(3)15-10-20(13(5-2)9-19-15)16-7-6-12(17)8-14(16)18/h6-8,11,13,15,19H,4-5,9-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine?
5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine has a molecular weight of 406.74 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-(4-chloro-2-iodophenyl)-2-ethylpiperazine is sourced from PubChem (CID 107640020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).