1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine

C20H26N2 — CID 123946269

IUPAC1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2ccc(CN3CCN(C)CC3)c(C)c2)c1
InChIInChI=1S/C20H26N2/c1-16-5-4-6-18(13-16)19-7-8-20(17(2)14-19)15-22-11-9-21(3)10-12-22/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyGJBLPCZQSVREKR-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.72
Rot. Bonds3

About 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine

1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine (PubChem CID 123946269) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
PubChem CID123946269
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2ccc(CN3CCN(C)CC3)c(C)c2)c1
InChIInChI=1S/C20H26N2/c1-16-5-4-6-18(13-16)19-7-8-20(17(2)14-19)15-22-11-9-21(3)10-12-22/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyGJBLPCZQSVREKR-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
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-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine (CID 123946269) is 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine is Cc1cccc(-c2ccc(CN3CCN(C)CC3)c(C)c2)c1.
What is the InChIKey of 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine?
The InChIKey is GJBLPCZQSVREKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-5-4-6-18(13-16)19-7-8-20(17(2)14-19)15-22-11-9-21(3)10-12-22/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine?
1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine has a molecular weight of 294.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine is sourced from PubChem (CID 123946269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).