2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine

C15H23IN2 — CID 64936947

IUPAC2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1ccc(I)cc1
InChIInChI=1S/C15H23IN2/c1-4-13-9-17-15(11(2)3)10-18(13)14-7-5-12(16)6-8-14/h5-8,11,13,15,17H,4,9-10H2,1-3H3
InChIKeyOYVQOUHCUBJMLO-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.50
Rot. Bonds3

About 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine

2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine (PubChem CID 64936947) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
PubChem CID64936947
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1c1ccc(I)cc1
InChIInChI=1S/C15H23IN2/c1-4-13-9-17-15(11(2)3)10-18(13)14-7-5-12(16)6-8-14/h5-8,11,13,15,17H,4,9-10H2,1-3H3
InChIKeyOYVQOUHCUBJMLO-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.50
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-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
2-ethyl-5-propan-2-yl-1-thiophen-3-ylpiperazine
CID 66354997
2-ethyl-1-(3-ethylphenyl)-5-propan-2-ylpiperazine
CID 64953104
2-ethyl-5-propan-2-yl-1-(2,4,5-trichlorophenyl)piperazine
CID 64937128
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
1-(2-chloro-6-methylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 66255306
2-ethyl-1-(2-fluoro-5-methylphenyl)-5-propan-2-ylpiperazine
CID 64952890
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
2-ethyl-1-(4-iodophenyl)piperazine
CID 64931488
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine?
The IUPAC name of 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine (CID 64936947) is 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine.
What is the SMILES notation for 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine?
The canonical SMILES for 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1c1ccc(I)cc1.
What is the InChIKey of 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine?
The InChIKey is OYVQOUHCUBJMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-4-13-9-17-15(11(2)3)10-18(13)14-7-5-12(16)6-8-14/h5-8,11,13,15,17H,4,9-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine?
2-ethyl-1-(4-iodophenyl)-5-propan-2-ylpiperazine has a molecular weight of 358.27 g/mol, XLogP of 3.50, 3 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)-5-propan-2-ylpiperazine is sourced from PubChem (CID 64936947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).