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

C9H17ClN4O — CID 52988217

IUPAC2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride
SMILESCC(C)c1nnc(N2CCNCC2)o1.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-7(2)8-11-12-9(14-8)13-5-3-10-4-6-13;/h7,10H,3-6H2,1-2H3;1H
InChIKeyYOKDBINIORPINV-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.02
Rot. Bonds2

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

2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride (PubChem CID 52988217) has the molecular formula C9H17ClN4O and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride
PubChem CID52988217
Molecular FormulaC9H17ClN4O
Molecular Weight232.71 g/mol
Exact Mass232.11
IUPAC Name2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride
SMILESCC(C)c1nnc(N2CCNCC2)o1.Cl
InChIInChI=1S/C9H16N4O.ClH/c1-7(2)8-11-12-9(14-8)13-5-3-10-4-6-13;/h7,10H,3-6H2,1-2H3;1H
InChIKeyYOKDBINIORPINV-UHFFFAOYSA-N
XLogP1.02
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride (CID 52988217) is 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride is CC(C)c1nnc(N2CCNCC2)o1.Cl.
What is the InChIKey of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride?
The InChIKey is YOKDBINIORPINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O.ClH/c1-7(2)8-11-12-9(14-8)13-5-3-10-4-6-13;/h7,10H,3-6H2,1-2H3;1H.
What are the key properties of 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride?
2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride has a molecular weight of 232.71 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-propan-2-yl-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 52988217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).