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

C7H12ClN3O — CID 75531100

IUPAC3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCNC2)no1
InChIInChI=1S/C7H11N3O.ClH/c1-2-6(4-8-3-1)7-9-5-11-10-7;/h5-6,8H,1-4H2;1H
InChIKeyOSTSKRGTXKQIJY-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.96
Rot. Bonds1

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

3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 75531100) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID75531100
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2CCCNC2)no1
InChIInChI=1S/C7H11N3O.ClH/c1-2-6(4-8-3-1)7-9-5-11-10-7;/h5-6,8H,1-4H2;1H
InChIKeyOSTSKRGTXKQIJY-UHFFFAOYSA-N
XLogP0.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 96848352
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221782
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
3-piperidin-3-yl-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 68962118

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride (CID 75531100) is 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1nc(C2CCCNC2)no1.
What is the InChIKey of 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is OSTSKRGTXKQIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c1-2-6(4-8-3-1)7-9-5-11-10-7;/h5-6,8H,1-4H2;1H.
What are the key properties of 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride?
3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 75531100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).