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

C14H17F2NO2 — CID 81103557

IUPAC1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(CC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-14(19)4-6-17(7-5-14)9-13(18)11-3-2-10(15)8-12(11)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyRPGAHTWFROVIMG-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.99
Rot. Bonds3

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

1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 81103557) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID81103557
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(CC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C14H17F2NO2/c1-14(19)4-6-17(7-5-14)9-13(18)11-3-2-10(15)8-12(11)16/h2-3,8,19H,4-7,9H2,1H3
InChIKeyRPGAHTWFROVIMG-UHFFFAOYSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
2-(4-aminopiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62029010
2-(4-tert-butylpiperidin-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62091099
2-(1,4-diazepan-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 62036985
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
2-(4-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 81103470
1-(3,4-difluorophenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405385
1-(4-fluorophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propan-2-one
CID 81103142
4-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,4-diazepan-2-one
CID 65366677
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017862
1-(2,5-dibromothiophen-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103562
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 81103557) is 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1(O)CCN(CC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is RPGAHTWFROVIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-14(19)4-6-17(7-5-14)9-13(18)11-3-2-10(15)8-12(11)16/h2-3,8,19H,4-7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 269.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 81103557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).