2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride

C20H25Cl2N3O2 — CID 52984605

IUPAC2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCc1cc(OCC(=O)N2CCN(CCc3ccccn3)CC2)ccc1Cl.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-16-14-18(5-6-19(16)21)26-15-20(25)24-12-10-23(11-13-24)9-7-17-4-2-3-8-22-17;/h2-6,8,14H,7,9-13,15H2,1H3;1H
InChIKeyZWGUYEQTHLPXKZ-UHFFFAOYSA-N
MW410.35 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 52984605) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID52984605
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCc1cc(OCC(=O)N2CCN(CCc3ccccn3)CC2)ccc1Cl.Cl
InChIInChI=1S/C20H24ClN3O2.ClH/c1-16-14-18(5-6-19(16)21)26-15-20(25)24-12-10-23(11-13-24)9-7-17-4-2-3-8-22-17;/h2-6,8,14H,7,9-13,15H2,1H3;1H
InChIKeyZWGUYEQTHLPXKZ-UHFFFAOYSA-N
XLogP3.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylphenoxy)ethanone
CID 17174686
2-(2,4-dichlorophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 19119293
2-(2,3-dimethylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 17013544
2-(4-nitrophenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 17013540
2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984767
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 52985229
2-(4-methoxyphenyl)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride
CID 52984539
2-(4-chloro-3-methylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706987
2-(4-chloro-3-methylphenoxy)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 17249616
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 57458505
2-(4-chloro-3-methylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958047

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride (CID 52984605) is 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride is Cc1cc(OCC(=O)N2CCN(CCc3ccccn3)CC2)ccc1Cl.Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is ZWGUYEQTHLPXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.ClH/c1-16-14-18(5-6-19(16)21)26-15-20(25)24-12-10-23(11-13-24)9-7-17-4-2-3-8-22-17;/h2-6,8,14H,7,9-13,15H2,1H3;1H.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 410.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 52984605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).