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

C8H13F2NO2 — CID 130611442

IUPAC2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone
SMILESCC1CC(O)CCN1C(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5-4-6(12)2-3-11(5)8(13)7(9)10/h5-7,12H,2-4H2,1H3
InChIKeyMZMAIVCRZZUHTC-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.62
Rot. Bonds1

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

2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone (PubChem CID 130611442) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone
PubChem CID130611442
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone
SMILESCC1CC(O)CCN1C(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5-4-6(12)2-3-11(5)8(13)7(9)10/h5-7,12H,2-4H2,1H3
InChIKeyMZMAIVCRZZUHTC-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,2-Difluoro-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 58122754
2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
CID 58468184
Tert-butyl 4-hydroxy-2-(trifluoromethyl)piperidine-1-carboxylate
CID 82018022
(2S,4R)-rel-tert-butyl 4-hydroxy-2-(trifluoromethyl)piperidine-1-carboxylate
CID 89650124
Tert-butyl cis-4-hydroxy-2-(trifluoromethyl)piperidine-1-carboxylate
CID 89650125
Rac-tert-butyl (2R,4R)-4-hydroxy-2-(trifluoromethyl)piperidine-1-carboxylate
CID 97289662
tert-butyl (2S,4S)-4-hydroxy-2-(trifluoromethyl)piperidine-1-carboxylate
CID 97289663
2,2,2-trifluoro-1-[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 117635119
[(2S,4S,5R)-5-fluoro-1-(2-hydroxyacetyl)-2-methylpiperidin-4-yl] hypoiodite
CID 121246763
1-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-3-hydroxypropan-1-one
CID 121265387

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone (CID 130611442) is 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone is CC1CC(O)CCN1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone?
The InChIKey is MZMAIVCRZZUHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5-4-6(12)2-3-11(5)8(13)7(9)10/h5-7,12H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone?
2,2-difluoro-1-(4-hydroxy-2-methylpiperidin-1-yl)ethanone has a molecular weight of 193.19 g/mol, XLogP of 0.62, 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-2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 130611442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).