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

C15H21FN2O3 — CID 107719544

IUPAC2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-11(19)13-4-3-12(9-14(13)16)21-10-15(20)18-7-5-17(2)6-8-18/h3-4,9,11,19H,5-8,10H2,1-2H3
InChIKeyWJODFIPWTBJAIK-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.03
Rot. Bonds4

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

2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 107719544) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID107719544
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1F
InChIInChI=1S/C15H21FN2O3/c1-11(19)13-4-3-12(9-14(13)16)21-10-15(20)18-7-5-17(2)6-8-18/h3-4,9,11,19H,5-8,10H2,1-2H3
InChIKeyWJODFIPWTBJAIK-UHFFFAOYSA-N
XLogP1.03
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 78947069
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 63650745
2-[2-(1-hydroxyethyl)-5-methylphenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 63650116
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 63368165
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
2-(3-butoxyphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 4733176
2-[3-(hydroxymethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 28561862
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 107720649

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone (CID 107719544) is 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is CC(O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is WJODFIPWTBJAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-11(19)13-4-3-12(9-14(13)16)21-10-15(20)18-7-5-17(2)6-8-18/h3-4,9,11,19H,5-8,10H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 296.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 107719544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).