1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone

C11H19F2NO2 — CID 130457597

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-9(2)7-16-8-10(15)14-5-3-11(12,13)4-6-14/h9H,3-8H2,1-2H3
InChIKeyYEELVGKSLDDTOC-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.92
Rot. Bonds4

About 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone

1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone (PubChem CID 130457597) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone
PubChem CID130457597
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone
SMILESCC(C)COCC(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2NO2/c1-9(2)7-16-8-10(15)14-5-3-11(12,13)4-6-14/h9H,3-8H2,1-2H3
InChIKeyYEELVGKSLDDTOC-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-Trifluoro-2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10731515
1-Piperidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887316
2-(2-Methylpropoxy)-1-piperidin-1-ylpropan-1-one
CID 51079669
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
N-(1-acetylpiperidin-4-yl)-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 5142237
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
1-[(3S)-3-ethylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 93617975
1-[(2S)-2-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 94025750
2-(Difluoromethoxy)-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 126787509
1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-propan-2-yloxyethanone
CID 129348765
2,2-Difluoro-4-methyl-1-morpholin-4-ylpentan-1-one
CID 57700630
Acetic acid-2-(4,4-difluoro-piperidin-1-yl)-2-oxo-ethyl Ester
CID 57749455

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone (CID 130457597) is 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone is CC(C)COCC(=O)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone?
The InChIKey is YEELVGKSLDDTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-9(2)7-16-8-10(15)14-5-3-11(12,13)4-6-14/h9H,3-8H2,1-2H3.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone has a molecular weight of 235.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylpropoxy)ethanone is sourced from PubChem (CID 130457597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).