2-methyl-1-(3-methylphenyl)piperazine

C12H18N2 — CID 2723804

IUPAC2-methyl-1-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCNCC2C)c1
InChIInChI=1S/C12H18N2/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3
InChIKeyQDMCWIHRLTVLIY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.79
Rot. Bonds1

About 2-methyl-1-(3-methylphenyl)piperazine

2-methyl-1-(3-methylphenyl)piperazine (PubChem CID 2723804) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-1-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name2-methyl-1-(3-methylphenyl)piperazine
PubChem CID2723804
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-1-(3-methylphenyl)piperazine
SMILESCc1cccc(N2CCNCC2C)c1
InChIInChI=1S/C12H18N2/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3
InChIKeyQDMCWIHRLTVLIY-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylphenyl)piperazine?
The IUPAC name of 2-methyl-1-(3-methylphenyl)piperazine (CID 2723804) is 2-methyl-1-(3-methylphenyl)piperazine.
What is the SMILES notation for 2-methyl-1-(3-methylphenyl)piperazine?
The canonical SMILES for 2-methyl-1-(3-methylphenyl)piperazine is Cc1cccc(N2CCNCC2C)c1.
What is the InChIKey of 2-methyl-1-(3-methylphenyl)piperazine?
The InChIKey is QDMCWIHRLTVLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-4-3-5-12(8-10)14-7-6-13-9-11(14)2/h3-5,8,11,13H,6-7,9H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylphenyl)piperazine?
2-methyl-1-(3-methylphenyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylphenyl)piperazine is sourced from PubChem (CID 2723804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).