1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone

C18H17Cl3N2O2 — CID 9013636

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H17Cl3N2O2/c19-13-5-6-17(15(21)11-13)25-12-18(24)23-9-7-22(8-10-23)16-4-2-1-3-14(16)20/h1-6,11H,7-10,12H2
InChIKeyIQBUAUIRQDDVRQ-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.37
Rot. Bonds4

About 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 9013636) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
PubChem CID9013636
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H17Cl3N2O2/c19-13-5-6-17(15(21)11-13)25-12-18(24)23-9-7-22(8-10-23)16-4-2-1-3-14(16)20/h1-6,11H,7-10,12H2
InChIKeyIQBUAUIRQDDVRQ-UHFFFAOYSA-N
XLogP4.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
2-(4-bromo-2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 1233602
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
2-(2,4-dichlorophenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108536091
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425
2-(4-bromo-2-chlorophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2226885

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone (CID 9013636) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is IQBUAUIRQDDVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c19-13-5-6-17(15(21)11-13)25-12-18(24)23-9-7-22(8-10-23)16-4-2-1-3-14(16)20/h1-6,11H,7-10,12H2.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone?
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 399.71 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 9013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).