2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone

C18H27FN2O3 — CID 131952345

IUPAC2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)COc2cccc(F)c2)CC1CCO
InChIInChI=1S/C18H27FN2O3/c1-14(2)11-20-7-8-21(12-16(20)6-9-22)18(23)13-24-17-5-3-4-15(19)10-17/h3-5,10,14,16,22H,6-9,11-13H2,1-2H3
InChIKeyDNQHDPVETGIGAS-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.76
Rot. Bonds7

About 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 131952345) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID131952345
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)CN1CCN(C(=O)COc2cccc(F)c2)CC1CCO
InChIInChI=1S/C18H27FN2O3/c1-14(2)11-20-7-8-21(12-16(20)6-9-22)18(23)13-24-17-5-3-4-15(19)10-17/h3-5,10,14,16,22H,6-9,11-13H2,1-2H3
InChIKeyDNQHDPVETGIGAS-UHFFFAOYSA-N
XLogP1.76
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-6-hydroxyphenyl)-[(3R)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
CID 124680191
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 156605496
2-(3-fluorophenoxy)-1-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 154837948
(2,3-dichlorophenyl)-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]methanone
CID 91836240
2-(4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 22264995
1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 8501561
2-(3-fluorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308620
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone (CID 131952345) is 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone is CC(C)CN1CCN(C(=O)COc2cccc(F)c2)CC1CCO.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is DNQHDPVETGIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-14(2)11-20-7-8-21(12-16(20)6-9-22)18(23)13-24-17-5-3-4-15(19)10-17/h3-5,10,14,16,22H,6-9,11-13H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 338.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 131952345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).