2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone

C20H23IN2O — CID 18414449

IUPAC2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone
SMILESO=C(Cc1ccc(I)cc1)C1CNCCN1CCc1ccccc1
InChIInChI=1S/C20H23IN2O/c21-18-8-6-17(7-9-18)14-20(24)19-15-22-11-13-23(19)12-10-16-4-2-1-3-5-16/h1-9,19,22H,10-15H2
InChIKeyLNSBKABZLYGDAV-UHFFFAOYSA-N
MW434.32 g/mol
LogP2.92
Rot. Bonds6

About 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone

2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone (PubChem CID 18414449) has the molecular formula C20H23IN2O and a molecular weight of 434.32 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone
PubChem CID18414449
Molecular FormulaC20H23IN2O
Molecular Weight434.32 g/mol
Exact Mass434.09
IUPAC Name2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone
SMILESO=C(Cc1ccc(I)cc1)C1CNCCN1CCc1ccccc1
InChIInChI=1S/C20H23IN2O/c21-18-8-6-17(7-9-18)14-20(24)19-15-22-11-13-23(19)12-10-16-4-2-1-3-5-16/h1-9,19,22H,10-15H2
InChIKeyLNSBKABZLYGDAV-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone?
The IUPAC name of 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone (CID 18414449) is 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone is O=C(Cc1ccc(I)cc1)C1CNCCN1CCc1ccccc1.
What is the InChIKey of 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone?
The InChIKey is LNSBKABZLYGDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O/c21-18-8-6-17(7-9-18)14-20(24)19-15-22-11-13-23(19)12-10-16-4-2-1-3-5-16/h1-9,19,22H,10-15H2.
What are the key properties of 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone?
2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone has a molecular weight of 434.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-[1-(2-phenylethyl)piperazin-2-yl]ethanone is sourced from PubChem (CID 18414449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).