1-benzhydryl-4-(3,3-diphenylpropyl)piperazine

C32H34N2 — CID 44756847

IUPAC1-benzhydryl-4-(3,3-diphenylpropyl)piperazine
SMILESc1ccc(C(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C32H34N2/c1-5-13-27(14-6-1)31(28-15-7-2-8-16-28)21-22-33-23-25-34(26-24-33)32(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2
InChIKeyCLZJJBZJUIWHJT-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.62
Rot. Bonds8

About 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine

1-benzhydryl-4-(3,3-diphenylpropyl)piperazine (PubChem CID 44756847) has the molecular formula C32H34N2 and a molecular weight of 446.64 g/mol. Its IUPAC name is 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(3,3-diphenylpropyl)piperazine
PubChem CID44756847
Molecular FormulaC32H34N2
Molecular Weight446.64 g/mol
Exact Mass446.27
IUPAC Name1-benzhydryl-4-(3,3-diphenylpropyl)piperazine
SMILESc1ccc(C(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C32H34N2/c1-5-13-27(14-6-1)31(28-15-7-2-8-16-28)21-22-33-23-25-34(26-24-33)32(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2
InChIKeyCLZJJBZJUIWHJT-UHFFFAOYSA-N
XLogP6.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine (CID 44756847) is 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine is c1ccc(C(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine?
The InChIKey is CLZJJBZJUIWHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2/c1-5-13-27(14-6-1)31(28-15-7-2-8-16-28)21-22-33-23-25-34(26-24-33)32(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20,31-32H,21-26H2.
What are the key properties of 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine?
1-benzhydryl-4-(3,3-diphenylpropyl)piperazine has a molecular weight of 446.64 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine is sourced from PubChem (CID 44756847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).