1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine

C26H27F3N2OS — CID 134141443

IUPAC1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESO=S(CCN1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H27F3N2OS/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-33(32)26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2
InChIKeyDZICPOPCCNVSFU-UHFFFAOYSA-N
MW472.58 g/mol
LogP4.76
Rot. Bonds8

About 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine

1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 134141443) has the molecular formula C26H27F3N2OS and a molecular weight of 472.58 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID134141443
Molecular FormulaC26H27F3N2OS
Molecular Weight472.58 g/mol
Exact Mass472.18
IUPAC Name1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine
SMILESO=S(CCN1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H27F3N2OS/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-33(32)26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2
InChIKeyDZICPOPCCNVSFU-UHFFFAOYSA-N
XLogP4.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine (CID 134141443) is 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine is O=S(CCN1CCN(Cc2ccc(F)cc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is DZICPOPCCNVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2OS/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-33(32)26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine?
1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 472.58 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 134141443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).