3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one

C13H17FN2O — CID 55033727

IUPAC3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O/c1-9(10-5-2-3-6-11(10)14)16-12-7-4-8-15-13(12)17/h2-3,5-6,9,12,16H,4,7-8H2,1H3,(H,15,17)
InChIKeyOYDIUNUHYNJJKY-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.75
Rot. Bonds3

About 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one

3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one (PubChem CID 55033727) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
PubChem CID55033727
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O/c1-9(10-5-2-3-6-11(10)14)16-12-7-4-8-15-13(12)17/h2-3,5-6,9,12,16H,4,7-8H2,1H3,(H,15,17)
InChIKeyOYDIUNUHYNJJKY-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one?
The IUPAC name of 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one (CID 55033727) is 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one?
The canonical SMILES for 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one is CC(NC1CCCNC1=O)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one?
The InChIKey is OYDIUNUHYNJJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(10-5-2-3-6-11(10)14)16-12-7-4-8-15-13(12)17/h2-3,5-6,9,12,16H,4,7-8H2,1H3,(H,15,17).
What are the key properties of 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one?
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one is sourced from PubChem (CID 55033727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).