2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C25H24F2N2O — CID 110249683

IUPAC2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2cccc(Cc3ccccc3F)n2)C1
InChIInChI=1S/C25H24F2N2O/c26-21-12-10-18(11-13-21)15-25(30)29-14-4-6-20(17-29)24-9-3-7-22(28-24)16-19-5-1-2-8-23(19)27/h1-3,5,7-13,20H,4,6,14-17H2
InChIKeyZKOVITBSYCPKJV-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.90
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110249683) has the molecular formula C25H24F2N2O and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110249683
Molecular FormulaC25H24F2N2O
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2cccc(Cc3ccccc3F)n2)C1
InChIInChI=1S/C25H24F2N2O/c26-21-12-10-18(11-13-21)15-25(30)29-14-4-6-20(17-29)24-9-3-7-22(28-24)16-19-5-1-2-8-23(19)27/h1-3,5,7-13,20H,4,6,14-17H2
InChIKeyZKOVITBSYCPKJV-UHFFFAOYSA-N
XLogP4.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 110249542
2-(4-fluorophenyl)-1-[2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110254606
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 95809941
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077
2-pyridin-4-yl-1-[(3S)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95809801
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679
1-[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809899
2-(4-fluorophenyl)-1-[3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255072
1-[(3S)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809900

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110249683) is 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCCC(c2cccc(Cc3ccccc3F)n2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is ZKOVITBSYCPKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O/c26-21-12-10-18(11-13-21)15-25(30)29-14-4-6-20(17-29)24-9-3-7-22(28-24)16-19-5-1-2-8-23(19)27/h1-3,5,7-13,20H,4,6,14-17H2.
What are the key properties of 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 406.48 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110249683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).