1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane

C11H21F2NO2 — CID 178001085

IUPAC1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane
SMILESCC1CCN(C(=O)CO)CC1(F)F.CCC
InChIInChI=1S/C8H13F2NO2.C3H8/c1-6-2-3-11(7(13)4-12)5-8(6,9)10;1-3-2/h6,12H,2-5H2,1H3;3H2,1-2H3
InChIKeyDBTQVGADTYICLF-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.90
Rot. Bonds1

About 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane

1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane (PubChem CID 178001085) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane
PubChem CID178001085
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane
SMILESCC1CCN(C(=O)CO)CC1(F)F.CCC
InChIInChI=1S/C8H13F2NO2.C3H8/c1-6-2-3-11(7(13)4-12)5-8(6,9)10;1-3-2/h6,12H,2-5H2,1H3;3H2,1-2H3
InChIKeyDBTQVGADTYICLF-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10539749
2-Hydroxy-1-(3-methylpiperidin-1-yl)ethan-1-one
CID 16769354
(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10825720
1-[(3S)-3-ethylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 93617975
(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
3,3,3-Trifluoro-2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 123148937
1-[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-hydroxyethanone
CID 129256186
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
CID 130733246

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane?
The IUPAC name of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane (CID 178001085) is 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane.
What is the SMILES notation for 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane?
The canonical SMILES for 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane is CC1CCN(C(=O)CO)CC1(F)F.CCC.
What is the InChIKey of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane?
The InChIKey is DBTQVGADTYICLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2.C3H8/c1-6-2-3-11(7(13)4-12)5-8(6,9)10;1-3-2/h6,12H,2-5H2,1H3;3H2,1-2H3.
What are the key properties of 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane?
1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane has a molecular weight of 237.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane is sourced from PubChem (CID 178001085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).