5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride

C11H20ClN3O — CID 86277244

IUPAC5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)Cc1nc(C2CCNCC2)no1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-8(2)7-10-13-11(14-15-10)9-3-5-12-6-4-9;/h8-9,12H,3-7H2,1-2H3;1H
InChIKeyKERDHQWRFWPCBR-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.16
Rot. Bonds3

About 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride

5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 86277244) has the molecular formula C11H20ClN3O and a molecular weight of 245.75 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID86277244
Molecular FormulaC11H20ClN3O
Molecular Weight245.75 g/mol
Exact Mass245.13
IUPAC Name5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCC(C)Cc1nc(C2CCNCC2)no1.Cl
InChIInChI=1S/C11H19N3O.ClH/c1-8(2)7-10-13-11(14-15-10)9-3-5-12-6-4-9;/h8-9,12H,3-7H2,1-2H3;1H
InChIKeyKERDHQWRFWPCBR-UHFFFAOYSA-N
XLogP2.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (CID 86277244) is 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is CC(C)Cc1nc(C2CCNCC2)no1.Cl.
What is the InChIKey of 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is KERDHQWRFWPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O.ClH/c1-8(2)7-10-13-11(14-15-10)9-3-5-12-6-4-9;/h8-9,12H,3-7H2,1-2H3;1H.
What are the key properties of 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 86277244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).