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

C9H15N3O2 — CID 63221737

IUPAC[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CC2CCCNC2)no1
InChIInChI=1S/C9H15N3O2/c13-6-9-11-8(12-14-9)4-7-2-1-3-10-5-7/h7,10,13H,1-6H2
InChIKeyQAVDUSQBKIGFQJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.10
Rot. Bonds3

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

[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 63221737) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
PubChem CID63221737
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CC2CCCNC2)no1
InChIInChI=1S/C9H15N3O2/c13-6-9-11-8(12-14-9)4-7-2-1-3-10-5-7/h7,10,13H,1-6H2
InChIKeyQAVDUSQBKIGFQJ-UHFFFAOYSA-N
XLogP0.10
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol (CID 63221737) is [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(CC2CCCNC2)no1.
What is the InChIKey of [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is QAVDUSQBKIGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-6-9-11-8(12-14-9)4-7-2-1-3-10-5-7/h7,10,13H,1-6H2.
What are the key properties of [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol?
[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 197.24 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 63221737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).