1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C15H16F3N3O2 — CID 72862978

IUPAC1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1nnc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C15H16F3N3O2/c1-10-19-20-13(23-10)21-7-5-14(22,6-8-21)11-3-2-4-12(9-11)15(16,17)18/h2-4,9,22H,5-8H2,1H3
InChIKeyKICSGKRRLFWNOB-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.88
Rot. Bonds2

About 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 72862978) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID72862978
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1nnc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)o1
InChIInChI=1S/C15H16F3N3O2/c1-10-19-20-13(23-10)21-7-5-14(22,6-8-21)11-3-2-4-12(9-11)15(16,17)18/h2-4,9,22H,5-8H2,1H3
InChIKeyKICSGKRRLFWNOB-UHFFFAOYSA-N
XLogP2.88
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 72862978) is 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1nnc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)o1.
What is the InChIKey of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is KICSGKRRLFWNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-19-20-13(23-10)21-7-5-14(22,6-8-21)11-3-2-4-12(9-11)15(16,17)18/h2-4,9,22H,5-8H2,1H3.
What are the key properties of 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 327.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 72862978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).