2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol

C11H18F2N4O2 — CID 67641515

IUPAC2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol
SMILESCC(F)(F)c1noc(N2CCC(NCCO)CC2)n1
InChIInChI=1S/C11H18F2N4O2/c1-11(12,13)9-15-10(19-16-9)17-5-2-8(3-6-17)14-4-7-18/h8,14,18H,2-7H2,1H3
InChIKeyBJWFUVQFCWQIPH-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.73
Rot. Bonds5

About 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol

2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol (PubChem CID 67641515) has the molecular formula C11H18F2N4O2 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol
PubChem CID67641515
Molecular FormulaC11H18F2N4O2
Molecular Weight276.29 g/mol
Exact Mass276.14
IUPAC Name2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol
SMILESCC(F)(F)c1noc(N2CCC(NCCO)CC2)n1
InChIInChI=1S/C11H18F2N4O2/c1-11(12,13)9-15-10(19-16-9)17-5-2-8(3-6-17)14-4-7-18/h8,14,18H,2-7H2,1H3
InChIKeyBJWFUVQFCWQIPH-UHFFFAOYSA-N
XLogP0.73
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol 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 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol (CID 67641515) is 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol is CC(F)(F)c1noc(N2CCC(NCCO)CC2)n1.
What is the InChIKey of 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol?
The InChIKey is BJWFUVQFCWQIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2/c1-11(12,13)9-15-10(19-16-9)17-5-2-8(3-6-17)14-4-7-18/h8,14,18H,2-7H2,1H3.
What are the key properties of 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol?
2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol has a molecular weight of 276.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 67641515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).