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

C12H18N2 — CID 116829299

IUPAC2-methyl-3-(3-methylphenyl)piperazine
SMILESCc1cccc(C2NCCNC2C)c1
InChIInChI=1S/C12H18N2/c1-9-4-3-5-11(8-9)12-10(2)13-6-7-14-12/h3-5,8,10,12-14H,6-7H2,1-2H3
InChIKeyCCXBGCAJRVMVBC-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.62
Rot. Bonds1

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

2-methyl-3-(3-methylphenyl)piperazine (PubChem CID 116829299) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-3-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name2-methyl-3-(3-methylphenyl)piperazine
PubChem CID116829299
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-3-(3-methylphenyl)piperazine
SMILESCc1cccc(C2NCCNC2C)c1
InChIInChI=1S/C12H18N2/c1-9-4-3-5-11(8-9)12-10(2)13-6-7-14-12/h3-5,8,10,12-14H,6-7H2,1-2H3
InChIKeyCCXBGCAJRVMVBC-UHFFFAOYSA-N
XLogP1.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylphenyl)piperazine?
The IUPAC name of 2-methyl-3-(3-methylphenyl)piperazine (CID 116829299) is 2-methyl-3-(3-methylphenyl)piperazine.
What is the SMILES notation for 2-methyl-3-(3-methylphenyl)piperazine?
The canonical SMILES for 2-methyl-3-(3-methylphenyl)piperazine is Cc1cccc(C2NCCNC2C)c1.
What is the InChIKey of 2-methyl-3-(3-methylphenyl)piperazine?
The InChIKey is CCXBGCAJRVMVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-3-5-11(8-9)12-10(2)13-6-7-14-12/h3-5,8,10,12-14H,6-7H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylphenyl)piperazine?
2-methyl-3-(3-methylphenyl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylphenyl)piperazine is sourced from PubChem (CID 116829299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).