2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone

C14H17F2NO — CID 118398596

IUPAC2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2NO/c1-10-5-7-17(8-6-10)14(18)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3
InChIKeyUWCOKARDGDSYKY-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.77
Rot. Bonds2

About 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone

2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 118398596) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID118398596
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2NO/c1-10-5-7-17(8-6-10)14(18)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3
InChIKeyUWCOKARDGDSYKY-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
CID 110487580
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594
1-(4-chloro-3-methylpiperidin-1-yl)-2-(2,6-difluorophenyl)ethanone
CID 114682990
2-(2,6-difluorophenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114510031
2-(2,6-difluorophenyl)-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119413951
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 119934548
2-[(2,3-difluorophenyl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 78820307
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-(2-chloro-6-fluorophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 39807762
1-(4-aminopiperidin-1-yl)-2-(2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 119376793
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 106838886
2-(2,6-difluorophenyl)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999492

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone (CID 118398596) is 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)Cc2c(F)cccc2F)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is UWCOKARDGDSYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10-5-7-17(8-6-10)14(18)9-11-12(15)3-2-4-13(11)16/h2-4,10H,5-9H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 253.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 118398596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).