1-(1H-imidazol-2-yl)piperazine;dihydrochloride

C7H14Cl2N4 — CID 86767533

IUPAC1-(1H-imidazol-2-yl)piperazine;dihydrochloride
SMILESCl.Cl.c1c[nH]c(N2CCNCC2)n1
InChIInChI=1S/C7H12N4.2ClH/c1-2-10-7(9-1)11-5-3-8-4-6-11;;/h1-2,8H,3-6H2,(H,9,10);2*1H
InChIKeyXCXJJDSBROHUMY-UHFFFAOYSA-N
MW225.12 g/mol
LogP0.66
Rot. Bonds1

About 1-(1H-imidazol-2-yl)piperazine;dihydrochloride

1-(1H-imidazol-2-yl)piperazine;dihydrochloride (PubChem CID 86767533) has the molecular formula C7H14Cl2N4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)piperazine;dihydrochloride
PubChem CID86767533
Molecular FormulaC7H14Cl2N4
Molecular Weight225.12 g/mol
Exact Mass224.06
IUPAC Name1-(1H-imidazol-2-yl)piperazine;dihydrochloride
SMILESCl.Cl.c1c[nH]c(N2CCNCC2)n1
InChIInChI=1S/C7H12N4.2ClH/c1-2-10-7(9-1)11-5-3-8-4-6-11;;/h1-2,8H,3-6H2,(H,9,10);2*1H
InChIKeyXCXJJDSBROHUMY-UHFFFAOYSA-N
XLogP0.66
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)piperazine;dihydrochloride?
The IUPAC name of 1-(1H-imidazol-2-yl)piperazine;dihydrochloride (CID 86767533) is 1-(1H-imidazol-2-yl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(1H-imidazol-2-yl)piperazine;dihydrochloride?
The canonical SMILES for 1-(1H-imidazol-2-yl)piperazine;dihydrochloride is Cl.Cl.c1c[nH]c(N2CCNCC2)n1.
What is the InChIKey of 1-(1H-imidazol-2-yl)piperazine;dihydrochloride?
The InChIKey is XCXJJDSBROHUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.2ClH/c1-2-10-7(9-1)11-5-3-8-4-6-11;;/h1-2,8H,3-6H2,(H,9,10);2*1H.
What are the key properties of 1-(1H-imidazol-2-yl)piperazine;dihydrochloride?
1-(1H-imidazol-2-yl)piperazine;dihydrochloride has a molecular weight of 225.12 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)piperazine;dihydrochloride is sourced from PubChem (CID 86767533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).