5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride

C9H16ClN3O — CID 50988208

IUPAC5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCCc1nc(C2CCCCN2)no1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-2-8-11-9(12-13-8)7-5-3-4-6-10-7;/h7,10H,2-6H2,1H3;1H
InChIKeyGCACJJSEQNYRIR-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.87
Rot. Bonds2

About 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride

5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 50988208) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID50988208
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCCc1nc(C2CCCCN2)no1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-2-8-11-9(12-13-8)7-5-3-4-6-10-7;/h7,10H,2-6H2,1H3;1H
InChIKeyGCACJJSEQNYRIR-UHFFFAOYSA-N
XLogP1.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 50988208) is 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is CCc1nc(C2CCCCN2)no1.Cl.
What is the InChIKey of 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is GCACJJSEQNYRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-2-8-11-9(12-13-8)7-5-3-4-6-10-7;/h7,10H,2-6H2,1H3;1H.
What are the key properties of 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 50988208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).