1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone

C19H20Cl2N2O2 — CID 1187384

IUPAC1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-6-7-18(17(21)12-16)25-14-19(24)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyKNJOATHEPPPLNN-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.72
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone

1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone (PubChem CID 1187384) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
PubChem CID1187384
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl2N2O2/c20-16-6-7-18(17(21)12-16)25-14-19(24)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyKNJOATHEPPPLNN-UHFFFAOYSA-N
XLogP3.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 55475153
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 55476319
2-(4-chloronaphthalen-1-yl)oxy-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 54158634
2-(2-chloro-4-nitrophenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22263902
2-(2,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 19119293
2-(2,4-dichlorophenoxy)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075010
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3-chloro-N-(2-methylpropyl)benzenesulfonamide
CID 1007870

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone (CID 1187384) is 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
The InChIKey is KNJOATHEPPPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c20-16-6-7-18(17(21)12-16)25-14-19(24)23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone has a molecular weight of 379.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone is sourced from PubChem (CID 1187384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).