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

C15H19F2NO — CID 118398594

IUPAC2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cc2c(F)cccc2F)CC1
InChIInChI=1S/C15H19F2NO/c1-15(2)6-8-18(9-7-15)14(19)10-11-12(16)4-3-5-13(11)17/h3-5H,6-10H2,1-2H3
InChIKeyUMWMOCKIGYYHPW-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.16
Rot. Bonds2

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

2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone (PubChem CID 118398594) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
PubChem CID118398594
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
SMILESCC1(C)CCN(C(=O)Cc2c(F)cccc2F)CC1
InChIInChI=1S/C15H19F2NO/c1-15(2)6-8-18(9-7-15)14(19)10-11-12(16)4-3-5-13(11)17/h3-5H,6-10H2,1-2H3
InChIKeyUMWMOCKIGYYHPW-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874648
2-(2-fluorophenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304559
2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 55214674
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 120804377
2-(2,6-difluorophenyl)-1-[3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119413951
2-(2,6-difluorophenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114510031
2-(2,6-difluorophenyl)-1-[5-(3,3-dimethylcyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanone
CID 171673442
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 119934548
1-(4-chloro-3-methylpiperidin-1-yl)-2-(2,6-difluorophenyl)ethanone
CID 114682990
1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 114931035

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone (CID 118398594) is 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone is CC1(C)CCN(C(=O)Cc2c(F)cccc2F)CC1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
The InChIKey is UMWMOCKIGYYHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-15(2)6-8-18(9-7-15)14(19)10-11-12(16)4-3-5-13(11)17/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone?
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone has a molecular weight of 267.32 g/mol, XLogP of 3.16, 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-(4,4-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 118398594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).