1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one

C11H19F2N3O — CID 167438770

IUPAC1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCN1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N3O/c12-11(13)1-4-15(5-2-11)7-8-16-6-3-14-9-10(16)17/h14H,1-9H2
InChIKeyNAXUDLSGVWYGSW-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.15
Rot. Bonds3

About 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one

1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one (PubChem CID 167438770) has the molecular formula C11H19F2N3O and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one
PubChem CID167438770
Molecular FormulaC11H19F2N3O
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one
SMILESO=C1CNCCN1CCN1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N3O/c12-11(13)1-4-15(5-2-11)7-8-16-6-3-14-9-10(16)17/h14H,1-9H2
InChIKeyNAXUDLSGVWYGSW-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one (CID 167438770) is 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one is O=C1CNCCN1CCN1CCC(F)(F)CC1.
What is the InChIKey of 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one?
The InChIKey is NAXUDLSGVWYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O/c12-11(13)1-4-15(5-2-11)7-8-16-6-3-14-9-10(16)17/h14H,1-9H2.
What are the key properties of 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one?
1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one has a molecular weight of 247.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 167438770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).