1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one

C11H18F2N2O — CID 66581144

IUPAC1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)N1CC(F)(F)C1
InChIInChI=1S/C11H18F2N2O/c12-11(13)8-15(9-11)10(16)4-7-14-5-2-1-3-6-14/h1-9H2
InChIKeyWRMGMAYKKIRVTO-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.34
Rot. Bonds3

About 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one

1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 66581144) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID66581144
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)N1CC(F)(F)C1
InChIInChI=1S/C11H18F2N2O/c12-11(13)8-15(9-11)10(16)4-7-14-5-2-1-3-6-14/h1-9H2
InChIKeyWRMGMAYKKIRVTO-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one (CID 66581144) is 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is WRMGMAYKKIRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-11(13)8-15(9-11)10(16)4-7-14-5-2-1-3-6-14/h1-9H2.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one?
1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 232.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 66581144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).