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

C24H26N2 — CID 67427355

IUPAC1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine
SMILESCc1c(CN2CCNCC2)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H26N2/c1-19-22(18-26-16-14-25-15-17-26)12-13-23(20-8-4-2-5-9-20)24(19)21-10-6-3-7-11-21/h2-13,25H,14-18H2,1H3
InChIKeyPUWIBZIZOSHFDP-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.73
Rot. Bonds4

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

1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine (PubChem CID 67427355) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine
PubChem CID67427355
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine
SMILESCc1c(CN2CCNCC2)ccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H26N2/c1-19-22(18-26-16-14-25-15-17-26)12-13-23(20-8-4-2-5-9-20)24(19)21-10-6-3-7-11-21/h2-13,25H,14-18H2,1H3
InChIKeyPUWIBZIZOSHFDP-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine (CID 67427355) is 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine is Cc1c(CN2CCNCC2)ccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine?
The InChIKey is PUWIBZIZOSHFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-19-22(18-26-16-14-25-15-17-26)12-13-23(20-8-4-2-5-9-20)24(19)21-10-6-3-7-11-21/h2-13,25H,14-18H2,1H3.
What are the key properties of 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine?
1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine has a molecular weight of 342.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3,4-diphenylphenyl)methyl]piperazine is sourced from PubChem (CID 67427355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).