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

C8H14ClN3O — CID 53398864

IUPAC3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CCCCN2)n1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-6-10-8(12-11-6)7-4-2-3-5-9-7;/h7,9H,2-5H2,1H3;1H
InChIKeyVNKGWZCRQRWCCJ-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.61
Rot. Bonds1

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

3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 53398864) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID53398864
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCc1noc(C2CCCCN2)n1.Cl
InChIInChI=1S/C8H13N3O.ClH/c1-6-10-8(12-11-6)7-4-2-3-5-9-7;/h7,9H,2-5H2,1H3;1H
InChIKeyVNKGWZCRQRWCCJ-UHFFFAOYSA-N
XLogP1.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 53398864) is 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is Cc1noc(C2CCCCN2)n1.Cl.
What is the InChIKey of 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is VNKGWZCRQRWCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-6-10-8(12-11-6)7-4-2-3-5-9-7;/h7,9H,2-5H2,1H3;1H.
What are the key properties of 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride?
3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 53398864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).