2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C15H16F3N3O — CID 90542207

IUPAC2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)14-20-19-13(22-14)12-6-8-21(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyZKVNPKLWOZBIRT-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.47
Rot. Bonds3

About 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 90542207) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID90542207
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C15H16F3N3O/c16-15(17,18)14-20-19-13(22-14)12-6-8-21(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyZKVNPKLWOZBIRT-UHFFFAOYSA-N
XLogP3.47
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 90539912
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542147
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219
2-phenyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 71792964
2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 90542560
N-(4-chlorophenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542162
2-(4-fluorophenyl)-5-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3,4-oxadiazole
CID 121073608
[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 90539924
2-[(1S,5R)-3-benzyl-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazole
CID 170436020
4-[[3-(5-benzyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615380
4-benzyl-N-phenyl-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]cyclohepta-1,3,6-trien-1-yl]methyl]piperazine-1-carboxamide
CID 174356936
1-(4-chlorophenyl)-4-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butane-1,4-dione
CID 90539805

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 90542207) is 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is ZKVNPKLWOZBIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c16-15(17,18)14-20-19-13(22-14)12-6-8-21(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 311.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 90542207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).