5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride

C10H20Cl2N4O — CID 43810461

IUPAC5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCC(C)c1noc(CN2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C10H18N4O.2ClH/c1-8(2)10-12-9(15-13-10)7-14-5-3-11-4-6-14;;/h8,11H,3-7H2,1-2H3;2*1H
InChIKeyYABRUDFGEYNEIH-UHFFFAOYSA-N
MW283.20 g/mol
LogP1.44
Rot. Bonds3

About 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride

5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride (PubChem CID 43810461) has the molecular formula C10H20Cl2N4O and a molecular weight of 283.20 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride
PubChem CID43810461
Molecular FormulaC10H20Cl2N4O
Molecular Weight283.20 g/mol
Exact Mass282.10
IUPAC Name5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCC(C)c1noc(CN2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C10H18N4O.2ClH/c1-8(2)10-12-9(15-13-10)7-14-5-3-11-4-6-14;;/h8,11H,3-7H2,1-2H3;2*1H
InChIKeyYABRUDFGEYNEIH-UHFFFAOYSA-N
XLogP1.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride (CID 43810461) is 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride is CC(C)c1noc(CN2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is YABRUDFGEYNEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.2ClH/c1-8(2)10-12-9(15-13-10)7-14-5-3-11-4-6-14;;/h8,11H,3-7H2,1-2H3;2*1H.
What are the key properties of 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride?
5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride has a molecular weight of 283.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-3-propan-2-yl-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 43810461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).