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

C9H15N3O3 — CID 106950434

IUPAC3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOCCc1noc(C2(O)CCCNC2)n1
InChIInChI=1S/C9H15N3O3/c13-5-2-7-11-8(15-12-7)9(14)3-1-4-10-6-9/h10,13-14H,1-6H2
InChIKeyDWJMPCUQSJFMLL-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.82
Rot. Bonds3

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

3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (PubChem CID 106950434) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
PubChem CID106950434
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
SMILESOCCc1noc(C2(O)CCCNC2)n1
InChIInChI=1S/C9H15N3O3/c13-5-2-7-11-8(15-12-7)9(14)3-1-4-10-6-9/h10,13-14H,1-6H2
InChIKeyDWJMPCUQSJFMLL-UHFFFAOYSA-N
XLogP-0.82
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950231
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950179
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950241
3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743346
3-[3-(ethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743499
3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743729
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol;hydrochloride
CID 86775615
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950381
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950142
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743289
5-(3-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 63138132

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The IUPAC name of 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol (CID 106950434) is 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The canonical SMILES for 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is OCCc1noc(C2(O)CCCNC2)n1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
The InChIKey is DWJMPCUQSJFMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c13-5-2-7-11-8(15-12-7)9(14)3-1-4-10-6-9/h10,13-14H,1-6H2.
What are the key properties of 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol?
3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol has a molecular weight of 213.24 g/mol, XLogP of -0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol is sourced from PubChem (CID 106950434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).