2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

C15H23ClN2O2 — CID 119576796

IUPAC2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCc1ccc(OCC(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-3-13-4-6-14(7-5-13)19-11-15(18)17-9-8-16-12(2)10-17;/h4-7,12,16H,3,8-11H2,1-2H3;1H
InChIKeyFUOUPVRYNWQIDF-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.87
Rot. Bonds4

About 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride

2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119576796) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119576796
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCCc1ccc(OCC(=O)N2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-3-13-4-6-14(7-5-13)19-11-15(18)17-9-8-16-12(2)10-17;/h4-7,12,16H,3,8-11H2,1-2H3;1H
InChIKeyFUOUPVRYNWQIDF-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)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

2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578085
1-(3-methylpiperazin-1-yl)-3-(4-propoxyphenyl)propan-1-one;hydrochloride
CID 119579077
2-(2-ethylphenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124684295
2-(2-ethylphenoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 124620495
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(4-ethylphenoxy)ethanone;hydrochloride
CID 120659949
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-(3-methylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone;hydrochloride
CID 119576784
1-(3-methylpiperazin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119579614
2-(3-methoxy-4-nitrophenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577792

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119576796) is 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is CCc1ccc(OCC(=O)N2CCNC(C)C2)cc1.Cl.
What is the InChIKey of 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is FUOUPVRYNWQIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-3-13-4-6-14(7-5-13)19-11-15(18)17-9-8-16-12(2)10-17;/h4-7,12,16H,3,8-11H2,1-2H3;1H.
What are the key properties of 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119576796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).