2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone

C16H22FNO2 — CID 43227568

IUPAC2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-3-13-6-4-5-9-18(13)11-15(19)12-7-8-16(20-2)14(17)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyGAKQOLKSMPQCIB-UHFFFAOYSA-N
MW279.36 g/mol
LogP3.28
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone

2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (PubChem CID 43227568) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
PubChem CID43227568
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
SMILESCCC1CCCCN1CC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FNO2/c1-3-13-6-4-5-9-18(13)11-15(19)12-7-8-16(20-2)14(17)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3
InChIKeyGAKQOLKSMPQCIB-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690667
2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
1-(3-bromo-4-methoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635406
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43219345
[2-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63394926
1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83043920
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
[2-(aminomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone;hydrochloride
CID 119468153
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone (CID 43227568) is 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is CCC1CCCCN1CC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is GAKQOLKSMPQCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-3-13-6-4-5-9-18(13)11-15(19)12-7-8-16(20-2)14(17)10-12/h7-8,10,13H,3-6,9,11H2,1-2H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone?
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 279.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 43227568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).