3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one

C13H14FNO2 — CID 145128278

IUPAC3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one
SMILESO=C(CC1CNCCC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO2/c14-11-3-1-9(2-4-11)13(17)7-10-8-15-6-5-12(10)16/h1-4,10,15H,5-8H2
InChIKeyJSLOJVKXJYEZMT-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.58
Rot. Bonds3

About 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one

3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one (PubChem CID 145128278) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one
PubChem CID145128278
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one
SMILESO=C(CC1CNCCC1=O)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO2/c14-11-3-1-9(2-4-11)13(17)7-10-8-15-6-5-12(10)16/h1-4,10,15H,5-8H2
InChIKeyJSLOJVKXJYEZMT-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one (CID 145128278) is 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one is O=C(CC1CNCCC1=O)c1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one?
The InChIKey is JSLOJVKXJYEZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-11-3-1-9(2-4-11)13(17)7-10-8-15-6-5-12(10)16/h1-4,10,15H,5-8H2.
What are the key properties of 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one?
3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one has a molecular weight of 235.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-2-oxoethyl]piperidin-4-one is sourced from PubChem (CID 145128278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).