2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone

C12H19FN2O — CID 67149795

IUPAC2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(CF)N1C=C(C2CCCCN2)CCC1
InChIInChI=1S/C12H19FN2O/c13-8-12(16)15-7-3-4-10(9-15)11-5-1-2-6-14-11/h9,11,14H,1-8H2
InChIKeyNEJGZKMNJOUXOI-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.60
Rot. Bonds2

About 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone

2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 67149795) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID67149795
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone
SMILESO=C(CF)N1C=C(C2CCCCN2)CCC1
InChIInChI=1S/C12H19FN2O/c13-8-12(16)15-7-3-4-10(9-15)11-5-1-2-6-14-11/h9,11,14H,1-8H2
InChIKeyNEJGZKMNJOUXOI-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone (CID 67149795) is 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone is O=C(CF)N1C=C(C2CCCCN2)CCC1.
What is the InChIKey of 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is NEJGZKMNJOUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c13-8-12(16)15-7-3-4-10(9-15)11-5-1-2-6-14-11/h9,11,14H,1-8H2.
What are the key properties of 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 226.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(5-piperidin-2-yl-3,4-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 67149795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).