1-(6-fluoroquinolin-4-yl)piperidin-4-one

C14H13FN2O — CID 95929822

IUPAC1-(6-fluoroquinolin-4-yl)piperidin-4-one
SMILESO=C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H13FN2O/c15-10-1-2-13-12(9-10)14(3-6-16-13)17-7-4-11(18)5-8-17/h1-3,6,9H,4-5,7-8H2
InChIKeyYCAIYTLFOOVCLT-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.54
Rot. Bonds1

About 1-(6-fluoroquinolin-4-yl)piperidin-4-one

1-(6-fluoroquinolin-4-yl)piperidin-4-one (PubChem CID 95929822) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(6-fluoroquinolin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-fluoroquinolin-4-yl)piperidin-4-one
PubChem CID95929822
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-(6-fluoroquinolin-4-yl)piperidin-4-one
SMILESO=C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C14H13FN2O/c15-10-1-2-13-12(9-10)14(3-6-16-13)17-7-4-11(18)5-8-17/h1-3,6,9H,4-5,7-8H2
InChIKeyYCAIYTLFOOVCLT-UHFFFAOYSA-N
XLogP2.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-4-yl)piperidin-4-one?
The IUPAC name of 1-(6-fluoroquinolin-4-yl)piperidin-4-one (CID 95929822) is 1-(6-fluoroquinolin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(6-fluoroquinolin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(6-fluoroquinolin-4-yl)piperidin-4-one is O=C1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(6-fluoroquinolin-4-yl)piperidin-4-one?
The InChIKey is YCAIYTLFOOVCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-10-1-2-13-12(9-10)14(3-6-16-13)17-7-4-11(18)5-8-17/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 1-(6-fluoroquinolin-4-yl)piperidin-4-one?
1-(6-fluoroquinolin-4-yl)piperidin-4-one has a molecular weight of 244.27 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinolin-4-yl)piperidin-4-one is sourced from PubChem (CID 95929822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).