1-(4-methylphenyl)piperazine;hydrochloride

C11H17ClN2 — CID 22285514

IUPAC1-(4-methylphenyl)piperazine;hydrochloride
SMILESCc1ccc(N2CCNCC2)cc1.Cl
InChIInChI=1S/C11H16N2.ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKeyHAIMQMXHKJAQBW-UHFFFAOYSA-N
MW212.72 g/mol
LogP1.83
Rot. Bonds1

About 1-(4-methylphenyl)piperazine;hydrochloride

1-(4-methylphenyl)piperazine;hydrochloride (PubChem CID 22285514) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(4-methylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)piperazine;hydrochloride
PubChem CID22285514
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(4-methylphenyl)piperazine;hydrochloride
SMILESCc1ccc(N2CCNCC2)cc1.Cl
InChIInChI=1S/C11H16N2.ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
InChIKeyHAIMQMXHKJAQBW-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 51.83
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-(4-methylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)piperazine;hydrochloride (CID 22285514) is 1-(4-methylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)piperazine;hydrochloride is Cc1ccc(N2CCNCC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)piperazine;hydrochloride?
The InChIKey is HAIMQMXHKJAQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.ClH/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)piperazine;hydrochloride?
1-(4-methylphenyl)piperazine;hydrochloride has a molecular weight of 212.72 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 22285514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).