(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

C17H16F2N2O2 — CID 16668261

IUPAC(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-12-4-5-13(14(19)11-12)16(22)21-9-6-17(23,7-10-21)15-3-1-2-8-20-15/h1-5,8,11,23H,6-7,9-10H2
InChIKeyITANJFJGXJWGER-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.48
Rot. Bonds2

About (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 16668261) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID16668261
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C17H16F2N2O2/c18-12-4-5-13(14(19)11-12)16(22)21-9-6-17(23,7-10-21)15-3-1-2-8-20-15/h1-5,8,11,23H,6-7,9-10H2
InChIKeyITANJFJGXJWGER-UHFFFAOYSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluorophenyl)phenyl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 131896204
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
2-[4-[1-(2,4-difluorobenzoyl)-4-hydroxypiperidin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399101
ethyl 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469859
(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 119316330
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16674967
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-methanidyl-4-pyridin-2-ylpiperidin-4-ol
CID 21029924

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (CID 16668261) is (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is O=C(c1ccc(F)cc1F)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is ITANJFJGXJWGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c18-12-4-5-13(14(19)11-12)16(22)21-9-6-17(23,7-10-21)15-3-1-2-8-20-15/h1-5,8,11,23H,6-7,9-10H2.
What are the key properties of (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 318.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 16668261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).