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

C13H16ClN3O — CID 66687111

IUPAC5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(-c2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C13H15N3O.ClH/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10;/h1-5,10,14H,6-9H2;1H
InChIKeyIQBKDVIUTBTLCK-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.63
Rot. Bonds2

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

5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 66687111) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID66687111
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1ccc(-c2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C13H15N3O.ClH/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10;/h1-5,10,14H,6-9H2;1H
InChIKeyIQBKDVIUTBTLCK-UHFFFAOYSA-N
XLogP2.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride (CID 66687111) is 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1ccc(-c2nc(C3CCNCC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IQBKDVIUTBTLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10;/h1-5,10,14H,6-9H2;1H.
What are the key properties of 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride?
5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 66687111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).