1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride

C20H25ClN2O2 — CID 120741482

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)COc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-2-16-8-10-17(11-9-16)19-14-21-12-13-22(19)20(23)15-24-18-6-4-3-5-7-18;/h3-11,19,21H,2,12-15H2,1H3;1H
InChIKeyQKHKFCFPNXQUJA-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.22
Rot. Bonds5

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride (PubChem CID 120741482) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
PubChem CID120741482
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)COc2ccccc2)cc1.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-2-16-8-10-17(11-9-16)19-14-21-12-13-22(19)20(23)15-24-18-6-4-3-5-7-18;/h3-11,19,21H,2,12-15H2,1H3;1H
InChIKeyQKHKFCFPNXQUJA-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479
2-(4-ethoxyphenoxy)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride (CID 120741482) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)COc2ccccc2)cc1.Cl.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride?
The InChIKey is QKHKFCFPNXQUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-2-16-8-10-17(11-9-16)19-14-21-12-13-22(19)20(23)15-24-18-6-4-3-5-7-18;/h3-11,19,21H,2,12-15H2,1H3;1H.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride?
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride is sourced from PubChem (CID 120741482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).