1-(3,5-dimethylphenyl)piperazine

C12H18N2 — CID 2758626

IUPAC1-(3,5-dimethylphenyl)piperazine
SMILESCc1cc(C)cc(N2CCNCC2)c1
InChIInChI=1S/C12H18N2/c1-10-7-11(2)9-12(8-10)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3
InChIKeyRBSSPJDOINFUCR-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.71
Rot. Bonds1

About 1-(3,5-dimethylphenyl)piperazine

1-(3,5-dimethylphenyl)piperazine (PubChem CID 2758626) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)piperazine
PubChem CID2758626
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(3,5-dimethylphenyl)piperazine
SMILESCc1cc(C)cc(N2CCNCC2)c1
InChIInChI=1S/C12H18N2/c1-10-7-11(2)9-12(8-10)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3
InChIKeyRBSSPJDOINFUCR-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)piperazine?
The IUPAC name of 1-(3,5-dimethylphenyl)piperazine (CID 2758626) is 1-(3,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-(3,5-dimethylphenyl)piperazine is Cc1cc(C)cc(N2CCNCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)piperazine?
The InChIKey is RBSSPJDOINFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-7-11(2)9-12(8-10)14-5-3-13-4-6-14/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)piperazine?
1-(3,5-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-(3,5-dimethylphenyl)piperazine is sourced from PubChem (CID 2758626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).