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

C10H17N3O2 — CID 63221785

IUPAC1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(CC2CCCNC2)no1
InChIInChI=1S/C10H17N3O2/c1-7(14)10-12-9(13-15-10)5-8-3-2-4-11-6-8/h7-8,11,14H,2-6H2,1H3
InChIKeyXGCQFZVZSYLFPP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.67
Rot. Bonds3

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

1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63221785) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63221785
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(CC2CCCNC2)no1
InChIInChI=1S/C10H17N3O2/c1-7(14)10-12-9(13-15-10)5-8-3-2-4-11-6-8/h7-8,11,14H,2-6H2,1H3
InChIKeyXGCQFZVZSYLFPP-UHFFFAOYSA-N
XLogP0.67
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221554
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731
5-(2-methyl-1,3-thiazol-4-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 65198751
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078486
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
5-(2,2-dimethylcyclohexyl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 107182887
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
5-(oxolan-3-yl)-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 55175292
1-[3-[(1,1-dioxothiolan-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115079955

Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63221785) is 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(CC2CCCNC2)no1.
What is the InChIKey of 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is XGCQFZVZSYLFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(14)10-12-9(13-15-10)5-8-3-2-4-11-6-8/h7-8,11,14H,2-6H2,1H3.
What are the key properties of 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63221785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).