1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol

C11H19N3O2 — CID 115825977

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCc1nnc(CN2CCC(C)(O)CC2)o1
InChIInChI=1S/C11H19N3O2/c1-3-9-12-13-10(16-9)8-14-6-4-11(2,15)5-7-14/h15H,3-8H2,1-2H3
InChIKeyCHXIMXMEEMHQKH-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.98
Rot. Bonds3

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

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 115825977) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID115825977
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCc1nnc(CN2CCC(C)(O)CC2)o1
InChIInChI=1S/C11H19N3O2/c1-3-9-12-13-10(16-9)8-14-6-4-11(2,15)5-7-14/h15H,3-8H2,1-2H3
InChIKeyCHXIMXMEEMHQKH-UHFFFAOYSA-N
XLogP0.98
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol (CID 115825977) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol is CCc1nnc(CN2CCC(C)(O)CC2)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is CHXIMXMEEMHQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9-12-13-10(16-9)8-14-6-4-11(2,15)5-7-14/h15H,3-8H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 225.29 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 115825977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).