1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride

C16H25ClN2O3 — CID 119470131

IUPAC1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
SMILESCCCOc1ccc(OCC(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-10-20-14-4-6-15(7-5-14)21-12-16(19)18-9-8-17-11-13(18)2;/h4-7,13,17H,3,8-12H2,1-2H3;1H
InChIKeyQLOZOVQQLYPBPI-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.10
Rot. Bonds6

About 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride

1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride (PubChem CID 119470131) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
PubChem CID119470131
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
SMILESCCCOc1ccc(OCC(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-3-10-20-14-4-6-15(7-5-14)21-12-16(19)18-9-8-17-11-13(18)2;/h4-7,13,17H,3,8-12H2,1-2H3;1H
InChIKeyQLOZOVQQLYPBPI-UHFFFAOYSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119470049
4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide
CID 119471304
5-(4-bromophenoxy)-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119470273
2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956
1-(7-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246411
2-(3-fluoro-4-nitrophenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472145
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472994
[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119473075
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-(3-fluoro-4-nitrophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472146
2-(2-chlorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone
CID 119471869
2-(2,4-difluorophenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119471074

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride (CID 119470131) is 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride is CCCOc1ccc(OCC(=O)N2CCNCC2C)cc1.Cl.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride?
The InChIKey is QLOZOVQQLYPBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-3-10-20-14-4-6-15(7-5-14)21-12-16(19)18-9-8-17-11-13(18)2;/h4-7,13,17H,3,8-12H2,1-2H3;1H.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride?
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119470131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).