1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine

C19H24N2 — CID 46232082

IUPAC1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine
SMILESCc1cccc(C)c1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N2/c1-15-6-4-7-16(2)19(15)17-8-5-9-18(14-17)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3
InChIKeyMFXUEKJZUSAPHK-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.72
Rot. Bonds2

About 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine

1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine (PubChem CID 46232082) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine
PubChem CID46232082
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine
SMILESCc1cccc(C)c1-c1cccc(N2CCN(C)CC2)c1
InChIInChI=1S/C19H24N2/c1-15-6-4-7-16(2)19(15)17-8-5-9-18(14-17)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3
InChIKeyMFXUEKJZUSAPHK-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine (CID 46232082) is 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine is Cc1cccc(C)c1-c1cccc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine?
The InChIKey is MFXUEKJZUSAPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-6-4-7-16(2)19(15)17-8-5-9-18(14-17)21-12-10-20(3)11-13-21/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine?
1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine has a molecular weight of 280.42 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylphenyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 46232082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).