2-(2-methylphenyl)piperazine;dihydrochloride

C11H18Cl2N2 — CID 70608733

IUPAC2-(2-methylphenyl)piperazine;dihydrochloride
SMILESCc1ccccc1C1CNCCN1.Cl.Cl
InChIInChI=1S/C11H16N2.2ClH/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11;;/h2-5,11-13H,6-8H2,1H3;2*1H
InChIKeyOERPRZGKLYYSHB-UHFFFAOYSA-N
MW249.18 g/mol
LogP2.07
Rot. Bonds1

About 2-(2-methylphenyl)piperazine;dihydrochloride

2-(2-methylphenyl)piperazine;dihydrochloride (PubChem CID 70608733) has the molecular formula C11H18Cl2N2 and a molecular weight of 249.18 g/mol. Its IUPAC name is 2-(2-methylphenyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)piperazine;dihydrochloride
PubChem CID70608733
Molecular FormulaC11H18Cl2N2
Molecular Weight249.18 g/mol
Exact Mass248.08
IUPAC Name2-(2-methylphenyl)piperazine;dihydrochloride
SMILESCc1ccccc1C1CNCCN1.Cl.Cl
InChIInChI=1S/C11H16N2.2ClH/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11;;/h2-5,11-13H,6-8H2,1H3;2*1H
InChIKeyOERPRZGKLYYSHB-UHFFFAOYSA-N
XLogP2.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)piperazine;dihydrochloride?
The IUPAC name of 2-(2-methylphenyl)piperazine;dihydrochloride (CID 70608733) is 2-(2-methylphenyl)piperazine;dihydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)piperazine;dihydrochloride?
The canonical SMILES for 2-(2-methylphenyl)piperazine;dihydrochloride is Cc1ccccc1C1CNCCN1.Cl.Cl.
What is the InChIKey of 2-(2-methylphenyl)piperazine;dihydrochloride?
The InChIKey is OERPRZGKLYYSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.2ClH/c1-9-4-2-3-5-10(9)11-8-12-6-7-13-11;;/h2-5,11-13H,6-8H2,1H3;2*1H.
What are the key properties of 2-(2-methylphenyl)piperazine;dihydrochloride?
2-(2-methylphenyl)piperazine;dihydrochloride has a molecular weight of 249.18 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)piperazine;dihydrochloride is sourced from PubChem (CID 70608733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).