2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

C14H20N2O3 — CID 28561862

IUPAC2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2cccc(CO)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-15-5-7-16(8-6-15)14(18)11-19-13-4-2-3-12(9-13)10-17/h2-4,9,17H,5-8,10-11H2,1H3
InChIKeyQRUDAHOGXRZDCR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.33
Rot. Bonds4

About 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 28561862) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID28561862
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)COc2cccc(CO)c2)CC1
InChIInChI=1S/C14H20N2O3/c1-15-5-7-16(8-6-15)14(18)11-19-13-4-2-3-12(9-13)10-17/h2-4,9,17H,5-8,10-11H2,1H3
InChIKeyQRUDAHOGXRZDCR-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(ethylaminomethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43278350
2-(3-butoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 4733176
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
2-[4-(aminomethyl)phenoxy]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 28744964
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 1360908
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 28561862) is 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)COc2cccc(CO)c2)CC1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is QRUDAHOGXRZDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-5-7-16(8-6-15)14(18)11-19-13-4-2-3-12(9-13)10-17/h2-4,9,17H,5-8,10-11H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 28561862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).