2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol

C23H20F3N3O2 — CID 141209342

IUPAC2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol
SMILESOc1cccnc1N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)18-6-7-21(28-15-18)31-19-4-1-3-17(14-19)13-16-8-11-29(12-9-16)22-20(30)5-2-10-27-22/h1-7,10,13-15,30H,8-9,11-12H2
InChIKeyUHFVCRUUJKZKLB-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.68
Rot. Bonds4

About 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol

2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol (PubChem CID 141209342) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol
PubChem CID141209342
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol
SMILESOc1cccnc1N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)18-6-7-21(28-15-18)31-19-4-1-3-17(14-19)13-16-8-11-29(12-9-16)22-20(30)5-2-10-27-22/h1-7,10,13-15,30H,8-9,11-12H2
InChIKeyUHFVCRUUJKZKLB-UHFFFAOYSA-N
XLogP5.68
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol with MolForge

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Related Compounds

3-chloro-6-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridazine
CID 141209341
2-[3-methyl-5-[(1-pyridin-3-ylpiperidin-4-ylidene)methyl]phenoxy]-5-(trifluoromethyl)pyridine
CID 91285648
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89464321
N-thieno[2,3-b]pyridin-2-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexane-1-carboxamide
CID 89463074
4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxylic acid
CID 66875745
N-[5-bromo-3-(hydroxymethyl)-2-pyridinyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66876335
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
N-pyridazin-3-yl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2,3-dihydropyridine-1-carboxamide
CID 66653014
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 141362482

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol?
The IUPAC name of 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol (CID 141209342) is 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol.
What is the SMILES notation for 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol?
The canonical SMILES for 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol is Oc1cccnc1N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol?
The InChIKey is UHFVCRUUJKZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)18-6-7-21(28-15-18)31-19-4-1-3-17(14-19)13-16-8-11-29(12-9-16)22-20(30)5-2-10-27-22/h1-7,10,13-15,30H,8-9,11-12H2.
What are the key properties of 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol?
2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol has a molecular weight of 427.43 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidin-1-yl]pyridin-3-ol is sourced from PubChem (CID 141209342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).