1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone

C15H19F2NO — CID 43219345

IUPAC1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO/c1-2-12-5-3-4-8-18(12)10-15(19)13-9-11(16)6-7-14(13)17/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyXKRIMAJRJASMMV-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.41
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone

1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 43219345) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID43219345
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO/c1-2-12-5-3-4-8-18(12)10-15(19)13-9-11(16)6-7-14(13)17/h6-7,9,12H,2-5,8,10H2,1H3
InChIKeyXKRIMAJRJASMMV-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidin-1-yl)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43227563
1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83043920
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107907513
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(2,5-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 43219785
1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886074
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 110654615
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone (CID 43219345) is 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is XKRIMAJRJASMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-2-12-5-3-4-8-18(12)10-15(19)13-9-11(16)6-7-14(13)17/h6-7,9,12H,2-5,8,10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone?
1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 43219345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).