1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone

C14H20N2O2 — CID 63861899

IUPAC1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
SMILESCC1CN(C(=O)Cc2cccc(O)c2)CC(C)N1
InChIInChI=1S/C14H20N2O2/c1-10-8-16(9-11(2)15-10)14(18)7-12-4-3-5-13(17)6-12/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyVGJUCEWABGFHMO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.14
Rot. Bonds2

About 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone

1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone (PubChem CID 63861899) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
PubChem CID63861899
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
SMILESCC1CN(C(=O)Cc2cccc(O)c2)CC(C)N1
InChIInChI=1S/C14H20N2O2/c1-10-8-16(9-11(2)15-10)14(18)7-12-4-3-5-13(17)6-12/h3-6,10-11,15,17H,7-9H2,1-2H3
InChIKeyVGJUCEWABGFHMO-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70783318
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]ethanone
CID 124590253
2-[3-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-[(3S,5R)-3,5-dimethylpiperazin-1-yl]ethanone
CID 151243314
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740
4-[2-(3-hydroxyphenyl)acetyl]piperazine-2,6-dione
CID 66085297
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
3-(3-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589289
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 91770233
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone (CID 63861899) is 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone is CC1CN(C(=O)Cc2cccc(O)c2)CC(C)N1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone?
The InChIKey is VGJUCEWABGFHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-8-16(9-11(2)15-10)14(18)7-12-4-3-5-13(17)6-12/h3-6,10-11,15,17H,7-9H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone?
1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 63861899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).