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

C15H23ClN2O3 — CID 6456468

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCN(C)CC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-16-6-8-17(9-7-16)15(18)11-12-4-5-13(19-2)14(10-12)20-3;/h4-5,10H,6-9,11H2,1-3H3;1H
InChIKeyCLOWDSPJWQPUEJ-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.44
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 6456468) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID6456468
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccc(CC(=O)N2CCN(C)CC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-16-6-8-17(9-7-16)15(18)11-12-4-5-13(19-2)14(10-12)20-3;/h4-5,10H,6-9,11H2,1-3H3;1H
InChIKeyCLOWDSPJWQPUEJ-UHFFFAOYSA-N
XLogP1.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride (CID 6456468) is 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride is COc1ccc(CC(=O)N2CCN(C)CC2)cc1OC.Cl.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is CLOWDSPJWQPUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-16-6-8-17(9-7-16)15(18)11-12-4-5-13(19-2)14(10-12)20-3;/h4-5,10H,6-9,11H2,1-3H3;1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 6456468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).