1-(3,4-dimethylphenyl)piperazine;hydrochloride

C12H19ClN2 — CID 56766536

IUPAC1-(3,4-dimethylphenyl)piperazine;hydrochloride
SMILESCc1ccc(N2CCNCC2)cc1C.Cl
InChIInChI=1S/C12H18N2.ClH/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H
InChIKeyPEIHRINRWMGBIY-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.13
Rot. Bonds1

About 1-(3,4-dimethylphenyl)piperazine;hydrochloride

1-(3,4-dimethylphenyl)piperazine;hydrochloride (PubChem CID 56766536) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)piperazine;hydrochloride
PubChem CID56766536
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name1-(3,4-dimethylphenyl)piperazine;hydrochloride
SMILESCc1ccc(N2CCNCC2)cc1C.Cl
InChIInChI=1S/C12H18N2.ClH/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H
InChIKeyPEIHRINRWMGBIY-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3,4-dimethylphenyl)piperazine;hydrochloride (CID 56766536) is 1-(3,4-dimethylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3,4-dimethylphenyl)piperazine;hydrochloride is Cc1ccc(N2CCNCC2)cc1C.Cl.
What is the InChIKey of 1-(3,4-dimethylphenyl)piperazine;hydrochloride?
The InChIKey is PEIHRINRWMGBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.ClH/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H.
What are the key properties of 1-(3,4-dimethylphenyl)piperazine;hydrochloride?
1-(3,4-dimethylphenyl)piperazine;hydrochloride has a molecular weight of 226.75 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 56766536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).