1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone

C15H21FN2O2 — CID 63634102

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cc(F)ccc2O)CC1(C)C
InChIInChI=1S/C15H21FN2O2/c1-15(2)10-18(7-6-17(15)3)9-14(20)12-8-11(16)4-5-13(12)19/h4-5,8,19H,6-7,9-10H2,1-3H3
InChIKeyBXFJQVGFOZEEQB-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.74
Rot. Bonds3

About 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone (PubChem CID 63634102) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
PubChem CID63634102
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)c2cc(F)ccc2O)CC1(C)C
InChIInChI=1S/C15H21FN2O2/c1-15(2)10-18(7-6-17(15)3)9-14(20)12-8-11(16)4-5-13(12)19/h4-5,8,19H,6-7,9-10H2,1-3H3
InChIKeyBXFJQVGFOZEEQB-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319161
5-fluoro-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzoic acid
CID 63620210
1-(3,4-difluorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634971
1-(2-methoxy-4-methylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634972
1-(3,4-dimethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635500
1-(1,3-benzodioxol-5-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63635151
4-[2-(5-fluoro-2-hydroxyphenyl)-2-oxoethyl]-3,3-dimethylpiperazin-2-one
CID 63606818
1-(5-fluoro-2-hydroxyphenyl)-2-(3-propylpyrrolidin-1-yl)ethanone
CID 113418142
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63633759
1-(5-fluoro-2-hydroxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 66392126
4-fluoro-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]aniline
CID 55216753
1-(5-fluoro-2-hydroxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170090

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone (CID 63634102) is 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)c2cc(F)ccc2O)CC1(C)C.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The InChIKey is BXFJQVGFOZEEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2)10-18(7-6-17(15)3)9-14(20)12-8-11(16)4-5-13(12)19/h4-5,8,19H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone has a molecular weight of 280.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63634102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).