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

C12H18F3N3O2 — CID 90542129

IUPAC2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCCOCCN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H18F3N3O2/c1-2-19-8-7-18-5-3-9(4-6-18)10-16-17-11(20-10)12(13,14)15/h9H,2-8H2,1H3
InChIKeyGZZZVQRAXQFXOC-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.30
Rot. Bonds5

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

2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 90542129) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID90542129
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCCOCCN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H18F3N3O2/c1-2-19-8-7-18-5-3-9(4-6-18)10-16-17-11(20-10)12(13,14)15/h9H,2-8H2,1H3
InChIKeyGZZZVQRAXQFXOC-UHFFFAOYSA-N
XLogP2.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 90542129) is 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is CCOCCN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is GZZZVQRAXQFXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-2-19-8-7-18-5-3-9(4-6-18)10-16-17-11(20-10)12(13,14)15/h9H,2-8H2,1H3.
What are the key properties of 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 293.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 90542129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).