2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

C8H13F2NO2 — CID 103514008

IUPAC2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)C(F)F)CCC1O
InChIInChI=1S/C8H13F2NO2/c1-5-4-11(3-2-6(5)12)8(13)7(9)10/h5-7,12H,2-4H2,1H3
InChIKeyIOQDEUAAPOMCRX-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.48
Rot. Bonds1

About 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 103514008) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID103514008
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)C(F)F)CCC1O
InChIInChI=1S/C8H13F2NO2/c1-5-4-11(3-2-6(5)12)8(13)7(9)10/h5-7,12H,2-4H2,1H3
InChIKeyIOQDEUAAPOMCRX-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 18340851
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
1-(Trifluoroacetyl)-4-piperidinemethanol
CID 10330779
2,2,2-Trifluoro-1-(4-hydroxypiperidin-1-yl)ethanone
CID 15895240
1-(3,3-Difluoro-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 46177344
1-[(3S,4R,5R)-3-(difluoromethyl)-4,5-dihydroxypiperidin-1-yl]ethanone
CID 51357309
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
1-Trifluoroacetylpiperidin-3-yl methanol
CID 58992664
1-(4-Ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 59083778
1-Acetyl-4-fluoro-4-(2,2,2-trifluoro-1-hydroxyethyl)-piperidine
CID 67402290
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
Tert-butyl 4-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate
CID 73977794

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 103514008) is 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1CN(C(=O)C(F)F)CCC1O.
What is the InChIKey of 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is IOQDEUAAPOMCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5-4-11(3-2-6(5)12)8(13)7(9)10/h5-7,12H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 103514008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).