2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol

C12H21N3O2 — CID 55064713

IUPAC2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol
SMILESCCc1noc(CN2CCCC(CCO)C2)n1
InChIInChI=1S/C12H21N3O2/c1-2-11-13-12(17-14-11)9-15-6-3-4-10(8-15)5-7-16/h10,16H,2-9H2,1H3
InChIKeyQWYRIQYWIMQRJS-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.23
Rot. Bonds5

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

2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 55064713) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol
PubChem CID55064713
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol
SMILESCCc1noc(CN2CCCC(CCO)C2)n1
InChIInChI=1S/C12H21N3O2/c1-2-11-13-12(17-14-11)9-15-6-3-4-10(8-15)5-7-16/h10,16H,2-9H2,1H3
InChIKeyQWYRIQYWIMQRJS-UHFFFAOYSA-N
XLogP1.23
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol (CID 55064713) is 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol is CCc1noc(CN2CCCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is QWYRIQYWIMQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-11-13-12(17-14-11)9-15-6-3-4-10(8-15)5-7-16/h10,16H,2-9H2,1H3.
What are the key properties of 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol?
2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 55064713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).