1-benzhydryl-4-(5,5-diphenylpentyl)piperazine

C34H38N2 — CID 46879886

IUPAC1-benzhydryl-4-(5,5-diphenylpentyl)piperazine
SMILESc1ccc(C(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C34H38N2/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)23-13-14-24-35-25-27-36(28-26-35)34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-12,15-22,33-34H,13-14,23-28H2
InChIKeyMSMMXPDNAAWHBC-UHFFFAOYSA-N
MW474.69 g/mol
LogP7.40
Rot. Bonds10

About 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine

1-benzhydryl-4-(5,5-diphenylpentyl)piperazine (PubChem CID 46879886) has the molecular formula C34H38N2 and a molecular weight of 474.69 g/mol. Its IUPAC name is 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(5,5-diphenylpentyl)piperazine
PubChem CID46879886
Molecular FormulaC34H38N2
Molecular Weight474.69 g/mol
Exact Mass474.30
IUPAC Name1-benzhydryl-4-(5,5-diphenylpentyl)piperazine
SMILESc1ccc(C(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C34H38N2/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)23-13-14-24-35-25-27-36(28-26-35)34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-12,15-22,33-34H,13-14,23-28H2
InChIKeyMSMMXPDNAAWHBC-UHFFFAOYSA-N
XLogP7.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine (CID 46879886) is 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine is c1ccc(C(CCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine?
The InChIKey is MSMMXPDNAAWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N2/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)23-13-14-24-35-25-27-36(28-26-35)34(31-19-9-3-10-20-31)32-21-11-4-12-22-32/h1-12,15-22,33-34H,13-14,23-28H2.
What are the key properties of 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine?
1-benzhydryl-4-(5,5-diphenylpentyl)piperazine has a molecular weight of 474.69 g/mol, XLogP of 7.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(5,5-diphenylpentyl)piperazine is sourced from PubChem (CID 46879886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).