1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone

C9H15F2NO2 — CID 178001423

IUPAC1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
SMILESCCC1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-7-3-4-12(8(14)5-13)6-9(7,10)11/h7,13H,2-6H2,1H3
InChIKeyYHALKOGAUWHBNI-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.87
Rot. Bonds2

About 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone

1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone (PubChem CID 178001423) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
PubChem CID178001423
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
SMILESCCC1CCN(C(=O)CO)CC1(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-7-3-4-12(8(14)5-13)6-9(7,10)11/h7,13H,2-6H2,1H3
InChIKeyYHALKOGAUWHBNI-UHFFFAOYSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 16769354
1-(Trifluoroacetyl)-4-piperidinemethanol
CID 10330779
(2R)-1-(4-butan-2-yl-4-fluoropiperidin-1-yl)-2-hydroxypropan-1-one
CID 89796450
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
(2R)-1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 89970284
1-(3,3-Difluoropiperidin-1-yl)-2-hydroxyethanone
CID 116991455
1-(4-Tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 118084461
1-(3,3-Difluoro-4-methoxypiperidin-1-yl)-2-hydroxyethanone
CID 118553700
1-[(4R)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121246965
1-[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-2-hydroxyethanone
CID 121265312
3,3,3-Trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 123148937
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] dihydrogen phosphate
CID 129256142

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone (CID 178001423) is 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone is CCC1CCN(C(=O)CO)CC1(F)F.
What is the InChIKey of 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
The InChIKey is YHALKOGAUWHBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-7-3-4-12(8(14)5-13)6-9(7,10)11/h7,13H,2-6H2,1H3.
What are the key properties of 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone?
1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone has a molecular weight of 207.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 178001423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).