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

C9H15N3O2 — CID 115078486

IUPAC[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CC2CCCNC2)n1
InChIInChI=1S/C9H15N3O2/c13-6-8-11-9(14-12-8)4-7-2-1-3-10-5-7/h7,10,13H,1-6H2
InChIKeyVKWVUENQCPSRAQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.10
Rot. Bonds3

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

[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 115078486) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID115078486
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CC2CCCNC2)n1
InChIInChI=1S/C9H15N3O2/c13-6-8-11-9(14-12-8)4-7-2-1-3-10-5-7/h7,10,13H,1-6H2
InChIKeyVKWVUENQCPSRAQ-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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Related Compounds

5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
1-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078529
3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62688942
5-(piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357
3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 102926760
3-cycloheptyl-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96839705
3-[(4-fluorophenyl)sulfanylmethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 66071556
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081751
[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 115078484
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
5-(piperidin-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620996

Frequently Asked Questions

What is the IUPAC name of [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 115078486) is [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(CC2CCCNC2)n1.
What is the InChIKey of [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is VKWVUENQCPSRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-6-8-11-9(14-12-8)4-7-2-1-3-10-5-7/h7,10,13H,1-6H2.
What are the key properties of [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-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 [5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 115078486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).