5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride

C8H15Cl2N3O — CID 54592757

IUPAC5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCc1nc(C2CCCCN2)no1.Cl.Cl
InChIInChI=1S/C8H13N3O.2ClH/c1-6-10-8(11-12-6)7-4-2-3-5-9-7;;/h7,9H,2-5H2,1H3;2*1H
InChIKeyHNHSURUJLDUZGS-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.04
Rot. Bonds1

About 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride

5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride (PubChem CID 54592757) has the molecular formula C8H15Cl2N3O and a molecular weight of 240.13 g/mol. Its IUPAC name is 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
PubChem CID54592757
Molecular FormulaC8H15Cl2N3O
Molecular Weight240.13 g/mol
Exact Mass239.06
IUPAC Name5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCc1nc(C2CCCCN2)no1.Cl.Cl
InChIInChI=1S/C8H13N3O.2ClH/c1-6-10-8(11-12-6)7-4-2-3-5-9-7;;/h7,9H,2-5H2,1H3;2*1H
InChIKeyHNHSURUJLDUZGS-UHFFFAOYSA-N
XLogP2.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 103619120
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106828730
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride (CID 54592757) is 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride is Cc1nc(C2CCCCN2)no1.Cl.Cl.
What is the InChIKey of 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is HNHSURUJLDUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.2ClH/c1-6-10-8(11-12-6)7-4-2-3-5-9-7;;/h7,9H,2-5H2,1H3;2*1H.
What are the key properties of 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride?
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride has a molecular weight of 240.13 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 54592757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).