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

C20H26N2 — CID 1377014

IUPAC1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C20H26N2/c1-16-7-9-19(10-8-16)15-21-11-13-22(14-12-21)20-6-4-5-17(2)18(20)3/h4-10H,11-15H2,1-3H3
InChIKeyXAZPHVWPNBGRDI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.93
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine (PubChem CID 1377014) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine
PubChem CID1377014
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C20H26N2/c1-16-7-9-19(10-8-16)15-21-11-13-22(14-12-21)20-6-4-5-17(2)18(20)3/h4-10H,11-15H2,1-3H3
InChIKeyXAZPHVWPNBGRDI-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine (CID 1377014) is 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
The InChIKey is XAZPHVWPNBGRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-16-7-9-19(10-8-16)15-21-11-13-22(14-12-21)20-6-4-5-17(2)18(20)3/h4-10H,11-15H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine?
1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine has a molecular weight of 294.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 1377014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).