1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone

C15H22N2O2 — CID 79601191

IUPAC1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone
SMILESCCC1CN(c2ccc(C(C)=O)c(O)c2)CCN1C
InChIInChI=1S/C15H22N2O2/c1-4-12-10-17(8-7-16(12)3)13-5-6-14(11(2)18)15(19)9-13/h5-6,9,12,19H,4,7-8,10H2,1-3H3
InChIKeyXROFQLHHCCDFOI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.13
Rot. Bonds3

About 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone

1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone (PubChem CID 79601191) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone
PubChem CID79601191
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone
SMILESCCC1CN(c2ccc(C(C)=O)c(O)c2)CCN1C
InChIInChI=1S/C15H22N2O2/c1-4-12-10-17(8-7-16(12)3)13-5-6-14(11(2)18)15(19)9-13/h5-6,9,12,19H,4,7-8,10H2,1-3H3
InChIKeyXROFQLHHCCDFOI-UHFFFAOYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone (CID 79601191) is 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone is CCC1CN(c2ccc(C(C)=O)c(O)c2)CCN1C.
What is the InChIKey of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone?
The InChIKey is XROFQLHHCCDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-12-10-17(8-7-16(12)3)13-5-6-14(11(2)18)15(19)9-13/h5-6,9,12,19H,4,7-8,10H2,1-3H3.
What are the key properties of 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone?
1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyl-4-methylpiperazin-1-yl)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 79601191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).