1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride

C20H25ClN2O3 — CID 120735077

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COCc1ccccc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-19-10-6-5-9-17(19)18-13-21-11-12-22(18)20(23)15-25-14-16-7-3-2-4-8-16;/h2-10,18,21H,11-15H2,1H3;1H
InChIKeyZOZHRNZWTXKULO-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.81
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride (PubChem CID 120735077) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
PubChem CID120735077
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COCc1ccccc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-19-10-6-5-9-17(19)18-13-21-11-12-22(18)20(23)15-25-14-16-7-3-2-4-8-16;/h2-10,18,21H,11-15H2,1H3;1H
InChIKeyZOZHRNZWTXKULO-UHFFFAOYSA-N
XLogP2.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pentoxyethanone;hydrochloride
CID 120733856
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
2-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733916
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735093
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone;hydrochloride
CID 120733808
4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 120732884
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride (CID 120735077) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)COCc1ccccc1.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride?
The InChIKey is ZOZHRNZWTXKULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-24-19-10-6-5-9-17(19)18-13-21-11-12-22(18)20(23)15-25-14-16-7-3-2-4-8-16;/h2-10,18,21H,11-15H2,1H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride is sourced from PubChem (CID 120735077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).