1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone

C12H20F2N2O — CID 121184638

IUPAC1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H20F2N2O/c1-10(17)15-6-2-11(3-7-15)16-8-4-12(13,14)5-9-16/h11H,2-9H2,1H3
InChIKeyYOIYITDSYMYVNJ-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.73
Rot. Bonds1

About 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone

1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 121184638) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID121184638
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H20F2N2O/c1-10(17)15-6-2-11(3-7-15)16-8-4-12(13,14)5-9-16/h11H,2-9H2,1H3
InChIKeyYOIYITDSYMYVNJ-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone (CID 121184638) is 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is YOIYITDSYMYVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-10(17)15-6-2-11(3-7-15)16-8-4-12(13,14)5-9-16/h11H,2-9H2,1H3.
What are the key properties of 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone?
1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 246.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluoropiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121184638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).