2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol

C15H24F3N3O — CID 134331620

IUPAC2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCC(C)(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)CC1
InChIInChI=1S/C15H24F3N3O/c1-14(2,3)13-10-12(15(16,17)18)19-21(13)11-4-6-20(7-5-11)8-9-22/h10-11,22H,4-9H2,1-3H3
InChIKeyNKKCVMIEQHIITN-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.83
Rot. Bonds3

About 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol

2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol (PubChem CID 134331620) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
PubChem CID134331620
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
SMILESCC(C)(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)CC1
InChIInChI=1S/C15H24F3N3O/c1-14(2,3)13-10-12(15(16,17)18)19-21(13)11-4-6-20(7-5-11)8-9-22/h10-11,22H,4-9H2,1-3H3
InChIKeyNKKCVMIEQHIITN-UHFFFAOYSA-N
XLogP2.83
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol (CID 134331620) is 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol is CC(C)(C)c1cc(C(F)(F)F)nn1C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
The InChIKey is NKKCVMIEQHIITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-14(2,3)13-10-12(15(16,17)18)19-21(13)11-4-6-20(7-5-11)8-9-22/h10-11,22H,4-9H2,1-3H3.
What are the key properties of 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol?
2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol has a molecular weight of 319.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 134331620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).