1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone

C18H18ClIN2O2 — CID 60610058

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone
SMILESO=C(COc1cccc(I)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18ClIN2O2/c19-14-3-1-5-16(11-14)21-7-9-22(10-8-21)18(23)13-24-17-6-2-4-15(20)12-17/h1-6,11-12H,7-10,13H2
InChIKeyFAJZWFXDJPDOAA-UHFFFAOYSA-N
MW456.71 g/mol
LogP3.67
Rot. Bonds4

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone (PubChem CID 60610058) has the molecular formula C18H18ClIN2O2 and a molecular weight of 456.71 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone
PubChem CID60610058
Molecular FormulaC18H18ClIN2O2
Molecular Weight456.71 g/mol
Exact Mass456.01
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone
SMILESO=C(COc1cccc(I)c1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18ClIN2O2/c19-14-3-1-5-16(11-14)21-7-9-22(10-8-21)18(23)13-24-17-6-2-4-15(20)12-17/h1-6,11-12H,7-10,13H2
InChIKeyFAJZWFXDJPDOAA-UHFFFAOYSA-N
XLogP3.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]acetic acid
CID 43521222
2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 26365760
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 71848285
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(3-methoxyphenyl)methoxy]ethanone
CID 46469565
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348298
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018392
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone (CID 60610058) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone is O=C(COc1cccc(I)c1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone?
The InChIKey is FAJZWFXDJPDOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClIN2O2/c19-14-3-1-5-16(11-14)21-7-9-22(10-8-21)18(23)13-24-17-6-2-4-15(20)12-17/h1-6,11-12H,7-10,13H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone has a molecular weight of 456.71 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-iodophenoxy)ethanone is sourced from PubChem (CID 60610058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).