4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine

C15H16F3N3O — CID 166611106

IUPAC4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine
SMILESFC(F)(F)Oc1ccccc1-c1cnn(C2CCNCC2)c1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)22-14-4-2-1-3-13(14)11-9-20-21(10-11)12-5-7-19-8-6-12/h1-4,9-10,12,19H,5-8H2
InChIKeySPMPLJJKXHDGOK-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.37
Rot. Bonds3

About 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine

4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine (PubChem CID 166611106) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine
PubChem CID166611106
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine
SMILESFC(F)(F)Oc1ccccc1-c1cnn(C2CCNCC2)c1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)22-14-4-2-1-3-13(14)11-9-20-21(10-11)12-5-7-19-8-6-12/h1-4,9-10,12,19H,5-8H2
InChIKeySPMPLJJKXHDGOK-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethoxy)aniline
CID 171391076
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CID 159604907
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyridin-2-amine
CID 67521229
5-(2-fluorophenyl)-3-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 134327523
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
1-piperidin-4-yl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 119821310
[2-(5-phenyl-1H-imidazol-2-yl)-4-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl] 2,2,2-trifluoroacetate
CID 140796382
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-isoquinolin-3-yl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67520854
3-[(2-methoxyphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 162656396
ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 144887684
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 160736724

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine?
The IUPAC name of 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine (CID 166611106) is 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine is FC(F)(F)Oc1ccccc1-c1cnn(C2CCNCC2)c1.
What is the InChIKey of 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine?
The InChIKey is SPMPLJJKXHDGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)22-14-4-2-1-3-13(14)11-9-20-21(10-11)12-5-7-19-8-6-12/h1-4,9-10,12,19H,5-8H2.
What are the key properties of 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine?
4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine has a molecular weight of 311.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine is sourced from PubChem (CID 166611106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).