2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine

C16H25IN2 — CID 64934538

IUPAC2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1cccc(I)c1
InChIInChI=1S/C16H25IN2/c1-4-15-10-18-14(8-12(2)3)11-19(15)16-7-5-6-13(17)9-16/h5-7,9,12,14-15,18H,4,8,10-11H2,1-3H3
InChIKeyWUBABNZVBGGGHT-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.89
Rot. Bonds4

About 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine

2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine (PubChem CID 64934538) has the molecular formula C16H25IN2 and a molecular weight of 372.29 g/mol. Its IUPAC name is 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
PubChem CID64934538
Molecular FormulaC16H25IN2
Molecular Weight372.29 g/mol
Exact Mass372.11
IUPAC Name2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1c1cccc(I)c1
InChIInChI=1S/C16H25IN2/c1-4-15-10-18-14(8-12(2)3)11-19(15)16-7-5-6-13(17)9-16/h5-7,9,12,14-15,18H,4,8,10-11H2,1-3H3
InChIKeyWUBABNZVBGGGHT-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dibromophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603860
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
2-ethyl-1-(3-propan-2-ylphenyl)-5-propylpiperazine
CID 64933250
1-(3-chloro-2-methylphenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64936226
1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603940
3-(2,5-diethylpiperazin-1-yl)benzonitrile
CID 102819056
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153
2-ethyl-1-(2-fluoro-4-methylphenyl)-5-(2-methylpropyl)piperazine
CID 64934982
2-methyl-5-(2-methylpropyl)-1-(3-methylsulfanylphenyl)piperazine
CID 64934482
3-(2-ethyl-5-propylpiperazin-1-yl)-N,N-dimethylaniline
CID 115379254
2-ethyl-1-(4-fluoro-2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64945930
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine (CID 64934538) is 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1c1cccc(I)c1.
What is the InChIKey of 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine?
The InChIKey is WUBABNZVBGGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2/c1-4-15-10-18-14(8-12(2)3)11-19(15)16-7-5-6-13(17)9-16/h5-7,9,12,14-15,18H,4,8,10-11H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine?
2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine has a molecular weight of 372.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-iodophenyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64934538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).