2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone

C17H26N2O2 — CID 93192786

IUPAC2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
SMILESCc1ccc(OC(C)C)c(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-17-6-5-14(3)11-15(17)16(20)12-19-9-7-18(4)8-10-19/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyWQHCVTMWFAMYGB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone

2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone (PubChem CID 93192786) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
PubChem CID93192786
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone
SMILESCc1ccc(OC(C)C)c(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-17-6-5-14(3)11-15(17)16(20)12-19-9-7-18(4)8-10-19/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyWQHCVTMWFAMYGB-UHFFFAOYSA-N
XLogP2.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-prop-2-enoxyphenyl)ethanone
CID 93192801
1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(5-chloro-2-propan-2-yloxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93192409
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(2-methoxy-3,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193340
1-(5-methyl-2-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82263418
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2,5-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836556
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
1-[2-(2-ethoxy-5-methylphenyl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 82136178

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone (CID 93192786) is 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone is Cc1ccc(OC(C)C)c(C(=O)CN2CCN(C)CC2)c1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone?
The InChIKey is WQHCVTMWFAMYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-17-6-5-14(3)11-15(17)16(20)12-19-9-7-18(4)8-10-19/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(5-methyl-2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 93192786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).