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

C20H25ClN2O3 — CID 120734753

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)Oc1ccccc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-15(25-16-8-4-3-5-9-16)20(23)22-13-12-21-14-18(22)17-10-6-7-11-19(17)24-2;/h3-11,15,18,21H,12-14H2,1-2H3;1H
InChIKeyUXDWIQQTXJJPSH-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.06
Rot. Bonds5

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

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride (PubChem CID 120734753) 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-phenoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
PubChem CID120734753
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)C(C)Oc1ccccc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-15(25-16-8-4-3-5-9-16)20(23)22-13-12-21-14-18(22)17-10-6-7-11-19(17)24-2;/h3-11,15,18,21H,12-14H2,1-2H3;1H
InChIKeyUXDWIQQTXJJPSH-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 120733367
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenoxypropan-1-one
CID 120732873
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 120732830
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 120734201
2-(4-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119472935
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120734114
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 120737414
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
cycloheptyl-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735372
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-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride (CID 120734753) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride is COc1ccccc1C1CNCCN1C(=O)C(C)Oc1ccccc1.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
The InChIKey is UXDWIQQTXJJPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-15(25-16-8-4-3-5-9-16)20(23)22-13-12-21-14-18(22)17-10-6-7-11-19(17)24-2;/h3-11,15,18,21H,12-14H2,1-2H3;1H.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenoxypropan-1-one;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.06, 5 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-phenoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120734753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).