4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one

C24H22F2N2O2 — CID 67105042

IUPAC4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1CC(CCO)(c2ccc(F)cc2)CCN1c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H22F2N2O2/c25-19-8-4-17(5-9-19)21-2-1-3-22(27-21)28-14-12-24(13-15-29,16-23(28)30)18-6-10-20(26)11-7-18/h1-11,29H,12-16H2
InChIKeyXNLXMCHPZQRCMX-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.47
Rot. Bonds5

About 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one

4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one (PubChem CID 67105042) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one
PubChem CID67105042
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one
SMILESO=C1CC(CCO)(c2ccc(F)cc2)CCN1c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H22F2N2O2/c25-19-8-4-17(5-9-19)21-2-1-3-22(27-21)28-14-12-24(13-15-29,16-23(28)30)18-6-10-20(26)11-7-18/h1-11,29H,12-16H2
InChIKeyXNLXMCHPZQRCMX-UHFFFAOYSA-N
XLogP4.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one (CID 67105042) is 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one is O=C1CC(CCO)(c2ccc(F)cc2)CCN1c1cccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one?
The InChIKey is XNLXMCHPZQRCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/c25-19-8-4-17(5-9-19)21-2-1-3-22(27-21)28-14-12-24(13-15-29,16-23(28)30)18-6-10-20(26)11-7-18/h1-11,29H,12-16H2.
What are the key properties of 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one?
4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one has a molecular weight of 408.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]-4-(2-hydroxyethyl)piperidin-2-one is sourced from PubChem (CID 67105042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).