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

C12H21N3O2 — CID 113343938

IUPAC3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESCC(C)c1nc(CN2CCCC(C)(O)C2)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)11-13-10(14-17-11)7-15-6-4-5-12(3,16)8-15/h9,16H,4-8H2,1-3H3
InChIKeyILFFQLIURBLQEV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.54
Rot. Bonds3

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

3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol (PubChem CID 113343938) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
PubChem CID113343938
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
SMILESCC(C)c1nc(CN2CCCC(C)(O)C2)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)11-13-10(14-17-11)7-15-6-4-5-12(3,16)8-15/h9,16H,4-8H2,1-3H3
InChIKeyILFFQLIURBLQEV-UHFFFAOYSA-N
XLogP1.54
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol (CID 113343938) is 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol is CC(C)c1nc(CN2CCCC(C)(O)C2)no1.
What is the InChIKey of 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is ILFFQLIURBLQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)11-13-10(14-17-11)7-15-6-4-5-12(3,16)8-15/h9,16H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol?
3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 239.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 113343938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).