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

C9H16BrN3O — CID 22029255

IUPAC2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide
SMILESBr.CCc1nnc(C2CCNCC2)o1
InChIInChI=1S/C9H15N3O.BrH/c1-2-8-11-12-9(13-8)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3;1H
InChIKeyBGRKSFNDWCPLNX-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.68
Rot. Bonds2

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

2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide (PubChem CID 22029255) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide.

Molecular Properties

Compound Name2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide
PubChem CID22029255
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide
SMILESBr.CCc1nnc(C2CCNCC2)o1
InChIInChI=1S/C9H15N3O.BrH/c1-2-8-11-12-9(13-8)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3;1H
InChIKeyBGRKSFNDWCPLNX-UHFFFAOYSA-N
XLogP1.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide?
The IUPAC name of 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide (CID 22029255) is 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide.
What is the SMILES notation for 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide?
The canonical SMILES for 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide is Br.CCc1nnc(C2CCNCC2)o1.
What is the InChIKey of 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide?
The InChIKey is BGRKSFNDWCPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.BrH/c1-2-8-11-12-9(13-8)7-3-5-10-6-4-7;/h7,10H,2-6H2,1H3;1H.
What are the key properties of 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide?
2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide has a molecular weight of 262.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-piperidin-4-yl-1,3,4-oxadiazole;hydrobromide is sourced from PubChem (CID 22029255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).