1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone

C16H21F2NO — CID 114425879

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCC1CCNC(CC(=O)c2cc(F)c(C)cc2F)C1
InChIInChI=1S/C16H21F2NO/c1-3-11-4-5-19-12(7-11)8-16(20)13-9-14(17)10(2)6-15(13)18/h6,9,11-12,19H,3-5,7-8H2,1-2H3
InChIKeyQFYOXTRLWSRMRF-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.62
Rot. Bonds4

About 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone

1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone (PubChem CID 114425879) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
PubChem CID114425879
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCC1CCNC(CC(=O)c2cc(F)c(C)cc2F)C1
InChIInChI=1S/C16H21F2NO/c1-3-11-4-5-19-12(7-11)8-16(20)13-9-14(17)10(2)6-15(13)18/h6,9,11-12,19H,3-5,7-8H2,1-2H3
InChIKeyQFYOXTRLWSRMRF-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluoro-4-methylphenyl)-2-(6-methylpiperidin-2-yl)ethanone
CID 116685376
2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone
CID 114425730
1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425722
1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425688
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425842
3-[2-(4-ethylpiperidin-2-yl)acetyl]benzonitrile
CID 114425849
2-(4-ethylpiperidin-2-yl)-1-(3-nitrophenyl)ethanone
CID 114425770
2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
CID 114425653
2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 114425650
1-(2,4-difluoro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 130817073
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
1-(5-bromo-1-benzofuran-2-yl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425694

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone (CID 114425879) is 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone is CCC1CCNC(CC(=O)c2cc(F)c(C)cc2F)C1.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
The InChIKey is QFYOXTRLWSRMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-3-11-4-5-19-12(7-11)8-16(20)13-9-14(17)10(2)6-15(13)18/h6,9,11-12,19H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone?
1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone has a molecular weight of 281.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone is sourced from PubChem (CID 114425879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).