2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C15H15ClF3N3O — CID 71793480

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1
InChIInChI=1S/C15H15ClF3N3O/c16-12-4-2-1-3-11(12)9-22-7-5-10(6-8-22)13-20-21-14(23-13)15(17,18)19/h1-4,10H,5-9H2
InChIKeyREJWLTODGFGEFH-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.12
Rot. Bonds3

About 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 71793480) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID71793480
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1
InChIInChI=1S/C15H15ClF3N3O/c16-12-4-2-1-3-11(12)9-22-7-5-10(6-8-22)13-20-21-14(23-13)15(17,18)19/h1-4,10H,5-9H2
InChIKeyREJWLTODGFGEFH-UHFFFAOYSA-N
XLogP4.12
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 71793480) is 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is REJWLTODGFGEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c16-12-4-2-1-3-11(12)9-22-7-5-10(6-8-22)13-20-21-14(23-13)15(17,18)19/h1-4,10H,5-9H2.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 345.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71793480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).