1,2,5-tribenzylpiperazine

C25H28N2 — CID 64850137

IUPAC1,2,5-tribenzylpiperazine
SMILESc1ccc(CC2CN(Cc3ccccc3)C(Cc3ccccc3)CN2)cc1
InChIInChI=1S/C25H28N2/c1-4-10-21(11-5-1)16-24-20-27(19-23-14-8-3-9-15-23)25(18-26-24)17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2
InChIKeyYZTRHIVHQADNIG-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.31
Rot. Bonds6

About 1,2,5-tribenzylpiperazine

1,2,5-tribenzylpiperazine (PubChem CID 64850137) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,2,5-tribenzylpiperazine.

Molecular Properties

Compound Name1,2,5-tribenzylpiperazine
PubChem CID64850137
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name1,2,5-tribenzylpiperazine
SMILESc1ccc(CC2CN(Cc3ccccc3)C(Cc3ccccc3)CN2)cc1
InChIInChI=1S/C25H28N2/c1-4-10-21(11-5-1)16-24-20-27(19-23-14-8-3-9-15-23)25(18-26-24)17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2
InChIKeyYZTRHIVHQADNIG-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-tribenzylpiperazine?
The IUPAC name of 1,2,5-tribenzylpiperazine (CID 64850137) is 1,2,5-tribenzylpiperazine.
What is the SMILES notation for 1,2,5-tribenzylpiperazine?
The canonical SMILES for 1,2,5-tribenzylpiperazine is c1ccc(CC2CN(Cc3ccccc3)C(Cc3ccccc3)CN2)cc1.
What is the InChIKey of 1,2,5-tribenzylpiperazine?
The InChIKey is YZTRHIVHQADNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-4-10-21(11-5-1)16-24-20-27(19-23-14-8-3-9-15-23)25(18-26-24)17-22-12-6-2-7-13-22/h1-15,24-26H,16-20H2.
What are the key properties of 1,2,5-tribenzylpiperazine?
1,2,5-tribenzylpiperazine has a molecular weight of 356.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tribenzylpiperazine is sourced from PubChem (CID 64850137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).