1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one

C20H23ClN2O2 — CID 120738181

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(C)C(=O)N2CCNCC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(15-7-9-16(25-2)10-8-15)20(24)23-12-11-22-13-19(23)17-5-3-4-6-18(17)21/h3-10,14,19,22H,11-13H2,1-2H3
InChIKeyXGELNLVRGOMISH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one (PubChem CID 120738181) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
PubChem CID120738181
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(C)C(=O)N2CCNCC2c2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(15-7-9-16(25-2)10-8-15)20(24)23-12-11-22-13-19(23)17-5-3-4-6-18(17)21/h3-10,14,19,22H,11-13H2,1-2H3
InChIKeyXGELNLVRGOMISH-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 120738169
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120739628
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120739061
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 120738310
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methoxythiophen-2-yl)methanone;hydrochloride
CID 120739287
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086
2-(5-chlorothiophen-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120733797

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one (CID 120738181) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one is COc1ccc(C(C)C(=O)N2CCNCC2c2ccccc2Cl)cc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one?
The InChIKey is XGELNLVRGOMISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(15-7-9-16(25-2)10-8-15)20(24)23-12-11-22-13-19(23)17-5-3-4-6-18(17)21/h3-10,14,19,22H,11-13H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one has a molecular weight of 358.87 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 120738181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).