4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

C17H18F3N3O — CID 125424004

IUPAC4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(Cc2ccncc2)CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)14-1-2-15(22-12-14)23-9-5-16(24,6-10-23)11-13-3-7-21-8-4-13/h1-4,7-8,12,24H,5-6,9-11H2
InChIKeyUPDGLDODKNTRJM-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.07
Rot. Bonds3

About 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol

4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (PubChem CID 125424004) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
PubChem CID125424004
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
SMILESOC1(Cc2ccncc2)CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H18F3N3O/c18-17(19,20)14-1-2-15(22-12-14)23-9-5-16(24,6-10-23)11-13-3-7-21-8-4-13/h1-4,7-8,12,24H,5-6,9-11H2
InChIKeyUPDGLDODKNTRJM-UHFFFAOYSA-N
XLogP3.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133352551
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-ol
CID 166751707
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
imidazol-1-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4784723
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 42857326
1-(3,4-dimethyl-5-pyridin-4-ylpyrrol-1-ium-2-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 162561436
2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 171705085

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol (CID 125424004) is 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is OC1(Cc2ccncc2)CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
The InChIKey is UPDGLDODKNTRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c18-17(19,20)14-1-2-15(22-12-14)23-9-5-16(24,6-10-23)11-13-3-7-21-8-4-13/h1-4,7-8,12,24H,5-6,9-11H2.
What are the key properties of 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol?
4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol has a molecular weight of 337.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-4-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 125424004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).