1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

C15H22N2O3 — CID 170862125

IUPAC1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCOc1ccc(O)c(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O3/c1-3-20-12-4-5-14(18)13(10-12)15(19)11-17-8-6-16(2)7-9-17/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyJWBNALVHVFNAEJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.22
Rot. Bonds5

About 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone

1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170862125) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID170862125
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCCOc1ccc(O)c(C(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O3/c1-3-20-12-4-5-14(18)13(10-12)15(19)11-17-8-6-16(2)7-9-17/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyJWBNALVHVFNAEJ-UHFFFAOYSA-N
XLogP1.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(2,4,6-triethoxyphenyl)ethanone
CID 170862115
1,8-bis(5-ethoxy-2-hydroxyphenyl)octane-1,8-dione
CID 3348725
2-amino-4-hydroxy-5-[2-(4-methylpiperazin-1-yl)acetyl]benzoic acid
CID 170861812
1-(4-methoxy-2-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193900
1-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93191408
1-(4-bromo-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862066
(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82265444
1-(4-bromo-2-hydroxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170862157
1-(2-butoxy-5-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93192756
1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861545
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861732
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone (CID 170862125) is 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is CCOc1ccc(O)c(C(=O)CN2CCN(C)CC2)c1.
What is the InChIKey of 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is JWBNALVHVFNAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-12-4-5-14(18)13(10-12)15(19)11-17-8-6-16(2)7-9-17/h4-5,10,18H,3,6-9,11H2,1-2H3.
What are the key properties of 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone?
1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170862125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).