1-(3,4-dimethylphenyl)piperazine

C12H18N2 — CID 2723782

IUPAC1-(3,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCNCC2)cc1C
InChIInChI=1S/C12H18N2/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeySFLNVAVCCYTHCQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.71
Rot. Bonds1

About 1-(3,4-dimethylphenyl)piperazine

1-(3,4-dimethylphenyl)piperazine (PubChem CID 2723782) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)piperazine
PubChem CID2723782
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3,4-dimethylphenyl)piperazine
SMILESCc1ccc(N2CCNCC2)cc1C
InChIInChI=1S/C12H18N2/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKeySFLNVAVCCYTHCQ-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.71
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?
The IUPAC name of 1-(3,4-dimethylphenyl)piperazine (CID 2723782) is 1-(3,4-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)piperazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)piperazine is Cc1ccc(N2CCNCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)piperazine?
The InChIKey is SFLNVAVCCYTHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)piperazine?
1-(3,4-dimethylphenyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.71, 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 is sourced from PubChem (CID 2723782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).