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

C10H18ClN3O — CID 53400827

IUPAC5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)c1noc(C2CCNCC2)n1.Cl
InChIInChI=1S/C10H17N3O.ClH/c1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;/h7-8,11H,3-6H2,1-2H3;1H
InChIKeyMBXMTEBIYCAIMW-UHFFFAOYSA-N
MW231.73 g/mol
LogP2.08
Rot. Bonds2

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

5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 53400827) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID53400827
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)c1noc(C2CCNCC2)n1.Cl
InChIInChI=1S/C10H17N3O.ClH/c1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;/h7-8,11H,3-6H2,1-2H3;1H
InChIKeyMBXMTEBIYCAIMW-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride (CID 53400827) is 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride is CC(C)c1noc(C2CCNCC2)n1.Cl.
What is the InChIKey of 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is MBXMTEBIYCAIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.ClH/c1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;/h7-8,11H,3-6H2,1-2H3;1H.
What are the key properties of 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride?
5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 231.73 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 53400827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).