1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one

C18H20F2N2O2 — CID 54673716

IUPAC1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC2(O)CCN(c3ccc(F)cc3F)CC2)c(=O)c1
InChIInChI=1S/C18H20F2N2O2/c1-13-4-7-22(17(23)10-13)12-18(24)5-8-21(9-6-18)16-3-2-14(19)11-15(16)20/h2-4,7,10-11,24H,5-6,8-9,12H2,1H3
InChIKeyAGDOZXBNAXFUEJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.47
Rot. Bonds3

About 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one

1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one (PubChem CID 54673716) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one
PubChem CID54673716
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC2(O)CCN(c3ccc(F)cc3F)CC2)c(=O)c1
InChIInChI=1S/C18H20F2N2O2/c1-13-4-7-22(17(23)10-13)12-18(24)5-8-21(9-6-18)16-3-2-14(19)11-15(16)20/h2-4,7,10-11,24H,5-6,8-9,12H2,1H3
InChIKeyAGDOZXBNAXFUEJ-UHFFFAOYSA-N
XLogP2.47
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methylphenyl)piperidine-4,4-diol
CID 167308640
4,4-diethyl-1-(2-fluoro-4-methylphenyl)piperidine
CID 169105579
1-(2,4-difluorophenyl)piperidin-4-ol
CID 10584688
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
1-[4-[4-(2,4-difluorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87500274
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
1-(2,4-difluorophenyl)piperazin-4-ium
CID 7004236
4-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111591
1-(2,4-difluorophenyl)pyrrolidin-3-one
CID 23053066
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol
CID 143566862
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 55153497

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one (CID 54673716) is 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one is Cc1ccn(CC2(O)CCN(c3ccc(F)cc3F)CC2)c(=O)c1.
What is the InChIKey of 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one?
The InChIKey is AGDOZXBNAXFUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-13-4-7-22(17(23)10-13)12-18(24)5-8-21(9-6-18)16-3-2-14(19)11-15(16)20/h2-4,7,10-11,24H,5-6,8-9,12H2,1H3.
What are the key properties of 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one?
1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one has a molecular weight of 334.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-difluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 54673716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).