[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone

C17H17FN2O2 — CID 3723672

IUPAC[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O2/c18-15-4-2-1-3-14(15)17(22)7-11-20(12-8-17)16(21)13-5-9-19-10-6-13/h1-6,9-10,22H,7-8,11-12H2
InChIKeyGTUILUQAADYDRI-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.34
Rot. Bonds2

About [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone

[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 3723672) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID3723672
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(O)(c2ccccc2F)CC1
InChIInChI=1S/C17H17FN2O2/c18-15-4-2-1-3-14(15)17(22)7-11-20(12-8-17)16(21)13-5-9-19-10-6-13/h1-6,9-10,22H,7-8,11-12H2
InChIKeyGTUILUQAADYDRI-UHFFFAOYSA-N
XLogP2.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone (CID 3723672) is [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(O)(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GTUILUQAADYDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-4-2-1-3-14(15)17(22)7-11-20(12-8-17)16(21)13-5-9-19-10-6-13/h1-6,9-10,22H,7-8,11-12H2.
What are the key properties of [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone?
[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 300.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 3723672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).