1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone

C18H24FNO4 — CID 166284035

IUPAC1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone
SMILESO=C(COC1CCCOC1)N1CCCC(c2cccc(O)c2F)C1
InChIInChI=1S/C18H24FNO4/c19-18-15(6-1-7-16(18)21)13-4-2-8-20(10-13)17(22)12-24-14-5-3-9-23-11-14/h1,6-7,13-14,21H,2-5,8-12H2
InChIKeyOINXENDOMKFFDP-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.43
Rot. Bonds4

About 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone

1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone (PubChem CID 166284035) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone
PubChem CID166284035
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone
SMILESO=C(COC1CCCOC1)N1CCCC(c2cccc(O)c2F)C1
InChIInChI=1S/C18H24FNO4/c19-18-15(6-1-7-16(18)21)13-4-2-8-20(10-13)17(22)12-24-14-5-3-9-23-11-14/h1,6-7,13-14,21H,2-5,8-12H2
InChIKeyOINXENDOMKFFDP-UHFFFAOYSA-N
XLogP2.43
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
CID 166410798
methyl 2-fluoro-3-[(3S)-1-propanoylpiperidin-3-yl]benzoate
CID 176578685
1-[3-(2-fluoro-3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)pent-4-en-1-one
CID 176577239
3-[3-(2-fluoro-3-hydroxyphenyl)piperidine-1-carbonyl]-2-methylisoquinolin-1-one
CID 166284030
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074
3-[1-(bicyclo[1.1.0]butane-1-carbonyl)piperidin-3-yl]-2-fluorobenzoic acid
CID 176577112
2-cyclopentyloxy-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 78898693
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 95598403
[2-(aminomethyl)spiro[2.3]hexan-2-yl]-[3-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methanone
CID 166276635
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
1-[3-(2-fluoro-3-hydroxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]butan-1-one
CID 176579651
(3S)-N-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
CID 99778409

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone?
The IUPAC name of 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone (CID 166284035) is 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone.
What is the SMILES notation for 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone?
The canonical SMILES for 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone is O=C(COC1CCCOC1)N1CCCC(c2cccc(O)c2F)C1.
What is the InChIKey of 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone?
The InChIKey is OINXENDOMKFFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c19-18-15(6-1-7-16(18)21)13-4-2-8-20(10-13)17(22)12-24-14-5-3-9-23-11-14/h1,6-7,13-14,21H,2-5,8-12H2.
What are the key properties of 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone?
1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone has a molecular weight of 337.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone is sourced from PubChem (CID 166284035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).