1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone

C17H22F3N3O — CID 171992794

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(c2ncccc2F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H22F3N3O/c18-14-2-1-7-21-16(14)23-8-3-13(4-9-23)12-15(24)22-10-5-17(19,20)6-11-22/h1-2,7,13H,3-6,8-12H2
InChIKeyXVNZEFIJFGGKEO-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.08
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone

1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone (PubChem CID 171992794) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
PubChem CID171992794
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(c2ncccc2F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H22F3N3O/c18-14-2-1-7-21-16(14)23-8-3-13(4-9-23)12-15(24)22-10-5-17(19,20)6-11-22/h1-2,7,13H,3-6,8-12H2
InChIKeyXVNZEFIJFGGKEO-UHFFFAOYSA-N
XLogP3.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone (CID 171992794) is 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone is O=C(CC1CCN(c2ncccc2F)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone?
The InChIKey is XVNZEFIJFGGKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c18-14-2-1-7-21-16(14)23-8-3-13(4-9-23)12-15(24)22-10-5-17(19,20)6-11-22/h1-2,7,13H,3-6,8-12H2.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone has a molecular weight of 341.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 171992794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).