N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H17F3N4O — CID 106396402

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2ncon2)CC1
InChIInChI=1S/C11H17F3N4O/c12-11(13,14)7-18-5-2-9(3-6-18)15-4-1-10-16-8-19-17-10/h8-9,15H,1-7H2
InChIKeyLLIXUJFYLOJGMN-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 106396402) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID106396402
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2ncon2)CC1
InChIInChI=1S/C11H17F3N4O/c12-11(13,14)7-18-5-2-9(3-6-18)15-4-1-10-16-8-19-17-10/h8-9,15H,1-7H2
InChIKeyLLIXUJFYLOJGMN-UHFFFAOYSA-N
XLogP1.23
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 106396402) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCc2ncon2)CC1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LLIXUJFYLOJGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c12-11(13,14)7-18-5-2-9(3-6-18)15-4-1-10-16-8-19-17-10/h8-9,15H,1-7H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 278.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 106396402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).