1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine

C32H32F2N2O — CID 4742672

IUPAC1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C32H32F2N2O/c33-29-15-11-27(12-16-29)32(28-13-17-30(34)18-14-28)37-24-23-35-19-21-36(22-20-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18,31-32H,19-24H2
InChIKeyDFWMSHYQQXUVDG-UHFFFAOYSA-N
MW498.62 g/mol
LogP6.48
Rot. Bonds9

About 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine

1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine (PubChem CID 4742672) has the molecular formula C32H32F2N2O and a molecular weight of 498.62 g/mol. Its IUPAC name is 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
PubChem CID4742672
Molecular FormulaC32H32F2N2O
Molecular Weight498.62 g/mol
Exact Mass498.25
IUPAC Name1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C32H32F2N2O/c33-29-15-11-27(12-16-29)32(28-13-17-30(34)18-14-28)37-24-23-35-19-21-36(22-20-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18,31-32H,19-24H2
InChIKeyDFWMSHYQQXUVDG-UHFFFAOYSA-N
XLogP6.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine (CID 4742672) is 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine is Fc1ccc(C(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The InChIKey is DFWMSHYQQXUVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N2O/c33-29-15-11-27(12-16-29)32(28-13-17-30(34)18-14-28)37-24-23-35-19-21-36(22-20-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18,31-32H,19-24H2.
What are the key properties of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine has a molecular weight of 498.62 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 4742672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).