1-tritylpiperazine

C23H24N2 — CID 11472931

IUPAC1-tritylpiperazine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C23H24N2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)25-18-16-24-17-19-25/h1-15,24H,16-19H2
InChIKeyLAZQWLMVJAIYFE-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.88
Rot. Bonds4

About 1-tritylpiperazine

1-tritylpiperazine (PubChem CID 11472931) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-tritylpiperazine.

Molecular Properties

Compound Name1-tritylpiperazine
PubChem CID11472931
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name1-tritylpiperazine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C23H24N2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)25-18-16-24-17-19-25/h1-15,24H,16-19H2
InChIKeyLAZQWLMVJAIYFE-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tritylpiperazine?
The IUPAC name of 1-tritylpiperazine (CID 11472931) is 1-tritylpiperazine.
What is the SMILES notation for 1-tritylpiperazine?
The canonical SMILES for 1-tritylpiperazine is c1ccc(C(c2ccccc2)(c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-tritylpiperazine?
The InChIKey is LAZQWLMVJAIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)25-18-16-24-17-19-25/h1-15,24H,16-19H2.
What are the key properties of 1-tritylpiperazine?
1-tritylpiperazine has a molecular weight of 328.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylpiperazine is sourced from PubChem (CID 11472931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).