1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride

C18H23Cl2N3O3 — CID 119470049

IUPAC1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
SMILESCC1CNCCN1C(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-14-12-19-10-11-21(14)18(22)13-23-15-5-7-16(8-6-15)24-17-4-2-3-9-20-17;;/h2-9,14,19H,10-13H2,1H3;2*1H
InChIKeySVQIVDYYVXOQAQ-UHFFFAOYSA-N
MW400.31 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride

1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride (PubChem CID 119470049) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
PubChem CID119470049
Molecular FormulaC18H23Cl2N3O3
Molecular Weight400.31 g/mol
Exact Mass399.11
IUPAC Name1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
SMILESCC1CNCCN1C(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-14-12-19-10-11-21(14)18(22)13-23-15-5-7-16(8-6-15)24-17-4-2-3-9-20-17;;/h2-9,14,19H,10-13H2,1H3;2*1H
InChIKeySVQIVDYYVXOQAQ-UHFFFAOYSA-N
XLogP2.92
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131
2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119648660
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119471869
1-[(2R)-2-methylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36629682
1-(2-methylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119471386
1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 119472580
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
1-(7-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246411
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119538496
2-(3-fluoro-4-nitrophenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472145

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride (CID 119470049) is 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride is CC1CNCCN1C(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride?
The InChIKey is SVQIVDYYVXOQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.2ClH/c1-14-12-19-10-11-21(14)18(22)13-23-15-5-7-16(8-6-15)24-17-4-2-3-9-20-17;;/h2-9,14,19H,10-13H2,1H3;2*1H.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride?
1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride has a molecular weight of 400.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride is sourced from PubChem (CID 119470049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).