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

C12H18F3N3O2 — CID 75390785

IUPAC1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)c1nnc(CN2CCC(O)(C(F)(F)F)CC2)o1
InChIInChI=1S/C12H18F3N3O2/c1-8(2)10-17-16-9(20-10)7-18-5-3-11(19,4-6-18)12(13,14)15/h8,19H,3-7H2,1-2H3
InChIKeyMMFLXZNCSMVJGO-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.08
Rot. Bonds3

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

1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75390785) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75390785
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)c1nnc(CN2CCC(O)(C(F)(F)F)CC2)o1
InChIInChI=1S/C12H18F3N3O2/c1-8(2)10-17-16-9(20-10)7-18-5-3-11(19,4-6-18)12(13,14)15/h8,19H,3-7H2,1-2H3
InChIKeyMMFLXZNCSMVJGO-UHFFFAOYSA-N
XLogP2.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol with MolForge

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Related Compounds

(4S*)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
CID 70737530
(3R*,4S*)-1-[(5-isopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72923748
1-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109848519
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109848523
1-[(5-Cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109848539
1-[3-(5-Methyl-1,3,4-oxadiazol-2-yl)propyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109848556
1-[1-(5-Ethyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109885112
1-[1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 109885370
2,2,2-Trifluoro-1-[1-[1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]piperidin-4-yl]ethanol
CID 112326747
1-[1-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327003
2,2,2-Trifluoro-1-[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanol
CID 112327006
1-[1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327028

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75390785) is 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is CC(C)c1nnc(CN2CCC(O)(C(F)(F)F)CC2)o1.
What is the InChIKey of 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is MMFLXZNCSMVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-8(2)10-17-16-9(20-10)7-18-5-3-11(19,4-6-18)12(13,14)15/h8,19H,3-7H2,1-2H3.
What are the key properties of 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 293.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75390785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).