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

C9H15N3O2 — CID 63014154

IUPAC1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(O)c1nc(C2CCNCC2)no1
InChIInChI=1S/C9H15N3O2/c1-6(13)9-11-8(12-14-9)7-2-4-10-5-3-7/h6-7,10,13H,2-5H2,1H3
InChIKeyQBOZJAQCFWAQDP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.59
Rot. Bonds2

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

1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 63014154) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID63014154
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(O)c1nc(C2CCNCC2)no1
InChIInChI=1S/C9H15N3O2/c1-6(13)9-11-8(12-14-9)7-2-4-10-5-3-7/h6-7,10,13H,2-5H2,1H3
InChIKeyQBOZJAQCFWAQDP-UHFFFAOYSA-N
XLogP0.59
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol (CID 63014154) is 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol is CC(O)c1nc(C2CCNCC2)no1.
What is the InChIKey of 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is QBOZJAQCFWAQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(13)9-11-8(12-14-9)7-2-4-10-5-3-7/h6-7,10,13H,2-5H2,1H3.
What are the key properties of 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol?
1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 197.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 63014154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).