1-benzhydryl-4-(6,6-diphenylhexyl)piperazine

C35H40N2 — CID 46879887

IUPAC1-benzhydryl-4-(6,6-diphenylhexyl)piperazine
SMILESc1ccc(C(CCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C35H40N2/c1-6-16-30(17-7-1)34(31-18-8-2-9-19-31)24-14-5-15-25-36-26-28-37(29-27-36)35(32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-4,6-13,16-23,34-35H,5,14-15,24-29H2
InChIKeyPIRRXQFOIGSAFB-UHFFFAOYSA-N
MW488.72 g/mol
LogP7.79
Rot. Bonds11

About 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine

1-benzhydryl-4-(6,6-diphenylhexyl)piperazine (PubChem CID 46879887) has the molecular formula C35H40N2 and a molecular weight of 488.72 g/mol. Its IUPAC name is 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-(6,6-diphenylhexyl)piperazine
PubChem CID46879887
Molecular FormulaC35H40N2
Molecular Weight488.72 g/mol
Exact Mass488.32
IUPAC Name1-benzhydryl-4-(6,6-diphenylhexyl)piperazine
SMILESc1ccc(C(CCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C35H40N2/c1-6-16-30(17-7-1)34(31-18-8-2-9-19-31)24-14-5-15-25-36-26-28-37(29-27-36)35(32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-4,6-13,16-23,34-35H,5,14-15,24-29H2
InChIKeyPIRRXQFOIGSAFB-UHFFFAOYSA-N
XLogP7.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 57.79
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-(6,6-diphenylhexyl)piperazine?
The IUPAC name of 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine (CID 46879887) is 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine.
What is the SMILES notation for 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine?
The canonical SMILES for 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine is c1ccc(C(CCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine?
The InChIKey is PIRRXQFOIGSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40N2/c1-6-16-30(17-7-1)34(31-18-8-2-9-19-31)24-14-5-15-25-36-26-28-37(29-27-36)35(32-20-10-3-11-21-32)33-22-12-4-13-23-33/h1-4,6-13,16-23,34-35H,5,14-15,24-29H2.
What are the key properties of 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine?
1-benzhydryl-4-(6,6-diphenylhexyl)piperazine has a molecular weight of 488.72 g/mol, XLogP of 7.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(6,6-diphenylhexyl)piperazine is sourced from PubChem (CID 46879887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).