2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride

C13H19ClN2O2 — CID 119402543

IUPAC2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
SMILESCc1cccc(OCC(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-11-3-2-4-12(9-11)17-10-13(16)15-7-5-14-6-8-15;/h2-4,9,14H,5-8,10H2,1H3;1H
InChIKeyJKFWWXZEWBVKAK-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.23
Rot. Bonds3

About 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride

2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride (PubChem CID 119402543) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
PubChem CID119402543
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
SMILESCc1cccc(OCC(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-11-3-2-4-12(9-11)17-10-13(16)15-7-5-14-6-8-15;/h2-4,9,14H,5-8,10H2,1H3;1H
InChIKeyJKFWWXZEWBVKAK-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
CID 28916795
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
2-(4-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 48867699
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
The IUPAC name of 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride (CID 119402543) is 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride is Cc1cccc(OCC(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
The InChIKey is JKFWWXZEWBVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-11-3-2-4-12(9-11)17-10-13(16)15-7-5-14-6-8-15;/h2-4,9,14H,5-8,10H2,1H3;1H.
What are the key properties of 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride?
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119402543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).