2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

C18H19FN2O2 — CID 16668074

IUPAC2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H19FN2O2/c19-15-6-4-14(5-7-15)13-17(22)21-11-8-18(23,9-12-21)16-3-1-2-10-20-16/h1-7,10,23H,8-9,11-13H2
InChIKeyHRGQDOKXKNBCJX-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.27
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (PubChem CID 16668074) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
PubChem CID16668074
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C18H19FN2O2/c19-15-6-4-14(5-7-15)13-17(22)21-11-8-18(23,9-12-21)16-3-1-2-10-20-16/h1-7,10,23H,8-9,11-13H2
InChIKeyHRGQDOKXKNBCJX-UHFFFAOYSA-N
XLogP2.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (CID 16668074) is 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is HRGQDOKXKNBCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-6-4-14(5-7-15)13-17(22)21-11-8-18(23,9-12-21)16-3-1-2-10-20-16/h1-7,10,23H,8-9,11-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 314.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16668074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).