1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride

C18H20Cl2N2O3 — CID 120739849

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(O)cc1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3.ClH/c19-16-4-2-1-3-15(16)17-11-20-9-10-21(17)18(23)12-24-14-7-5-13(22)6-8-14;/h1-8,17,20,22H,9-12H2;1H
InChIKeyRLUQDKFKDBGEPB-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.02
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride (PubChem CID 120739849) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride
PubChem CID120739849
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride
SMILESCl.O=C(COc1ccc(O)cc1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C18H19ClN2O3.ClH/c19-16-4-2-1-3-15(16)17-11-20-9-10-21(17)18(23)12-24-14-7-5-13(22)6-8-14;/h1-8,17,20,22H,9-12H2;1H
InChIKeyRLUQDKFKDBGEPB-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenoxy)ethanone;hydrochloride
CID 120739679
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone
CID 120803535
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 120732884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride (CID 120739849) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride is Cl.O=C(COc1ccc(O)cc1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride?
The InChIKey is RLUQDKFKDBGEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3.ClH/c19-16-4-2-1-3-15(16)17-11-20-9-10-21(17)18(23)12-24-14-7-5-13(22)6-8-14;/h1-8,17,20,22H,9-12H2;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride has a molecular weight of 383.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride is sourced from PubChem (CID 120739849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).