[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C13H22F2N2O2 — CID 174732113

IUPAC[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O2/c1-12(2,3)11(18)19-17-6-4-10(5-7-17)16-8-13(14,15)9-16/h10H,4-9H2,1-3H3
InChIKeyDEOMUOMYSZVKHQ-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.91
Rot. Bonds2

About [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174732113) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174732113
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(N2CC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O2/c1-12(2,3)11(18)19-17-6-4-10(5-7-17)16-8-13(14,15)9-16/h10H,4-9H2,1-3H3
InChIKeyDEOMUOMYSZVKHQ-UHFFFAOYSA-N
XLogP1.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
[(3S)-3-sulfanylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174754591
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174835809
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride
CID 174209943
[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267602

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174732113) is [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(N2CC(F)(F)C2)CC1.
What is the InChIKey of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is DEOMUOMYSZVKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-12(2,3)11(18)19-17-6-4-10(5-7-17)16-8-13(14,15)9-16/h10H,4-9H2,1-3H3.
What are the key properties of [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 276.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174732113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).