5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine

C15H14F6N4O — CID 59356388

IUPAC5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine
SMILESFC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)[nH]n3)CC2)nc1
InChIInChI=1S/C15H14F6N4O/c16-14(17,18)9-1-2-12(22-8-9)25-5-3-10(4-6-25)26-13-7-11(23-24-13)15(19,20)21/h1-2,7-8,10H,3-6H2,(H,23,24)
InChIKeyPJFGBYIOXBXTRM-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.89
Rot. Bonds3

About 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine

5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine (PubChem CID 59356388) has the molecular formula C15H14F6N4O and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine
PubChem CID59356388
Molecular FormulaC15H14F6N4O
Molecular Weight380.29 g/mol
Exact Mass380.11
IUPAC Name5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine
SMILESFC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)[nH]n3)CC2)nc1
InChIInChI=1S/C15H14F6N4O/c16-14(17,18)9-1-2-12(22-8-9)25-5-3-10(4-6-25)26-13-7-11(23-24-13)15(19,20)21/h1-2,7-8,10H,3-6H2,(H,23,24)
InChIKeyPJFGBYIOXBXTRM-UHFFFAOYSA-N
XLogP3.89
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?
The IUPAC name of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine (CID 59356388) is 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?
The canonical SMILES for 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine is FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)[nH]n3)CC2)nc1.
What is the InChIKey of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?
The InChIKey is PJFGBYIOXBXTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N4O/c16-14(17,18)9-1-2-12(22-8-9)25-5-3-10(4-6-25)26-13-7-11(23-24-13)15(19,20)21/h1-2,7-8,10H,3-6H2,(H,23,24).
What are the key properties of 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine?
5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine has a molecular weight of 380.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]piperidin-1-yl]pyridine is sourced from PubChem (CID 59356388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).