1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol

C9H12F3N3O2 — CID 172900412

IUPAC1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)8-14-13-7(17-8)5-15-3-1-2-6(16)4-15/h6,16H,1-5H2
InChIKeySODJNOCSVCNZKM-UHFFFAOYSA-N
MW251.21 g/mol
LogP1.05
Rot. Bonds2

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

1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (PubChem CID 172900412) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
PubChem CID172900412
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)8-14-13-7(17-8)5-15-3-1-2-6(16)4-15/h6,16H,1-5H2
InChIKeySODJNOCSVCNZKM-UHFFFAOYSA-N
XLogP1.05
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol (CID 172900412) is 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is OC1CCCN(Cc2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is SODJNOCSVCNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)8-14-13-7(17-8)5-15-3-1-2-6(16)4-15/h6,16H,1-5H2.
What are the key properties of 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol?
1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 251.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 172900412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).