2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

C14H21ClN2O3 — CID 119469956

IUPAC2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccccc1OCC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-11-9-15-7-8-16(11)14(17)10-19-13-6-4-3-5-12(13)18-2;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeyDNLXKJFHQYGGAS-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.32
Rot. Bonds4

About 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride

2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 119469956) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID119469956
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
SMILESCOc1ccccc1OCC(=O)N1CCNCC1C.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-11-9-15-7-8-16(11)14(17)10-19-13-6-4-3-5-12(13)18-2;/h3-6,11,15H,7-10H2,1-2H3;1H
InChIKeyDNLXKJFHQYGGAS-UHFFFAOYSA-N
XLogP1.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119471869
1-(2-methylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119471386
2-(2,4-difluorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119471074
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
(3R)-3-(2-methoxyphenyl)-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 124571039
2-(2-methoxyphenoxy)-1-(2,5,5-trimethylpiperazin-1-yl)ethanone
CID 82251019
2-(2,5-dimethylphenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472337
2-(2,4-dimethylphenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472369
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
(2,6-dimethoxyphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755447
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride (CID 119469956) is 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is COc1ccccc1OCC(=O)N1CCNCC1C.Cl.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is DNLXKJFHQYGGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-11-9-15-7-8-16(11)14(17)10-19-13-6-4-3-5-12(13)18-2;/h3-6,11,15H,7-10H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride?
2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119469956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).