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

C26H28F2N2OS — CID 134135927

IUPAC1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine
SMILESO=S(CCN1CCN(Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H28F2N2OS/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)32(31)19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2
InChIKeyUFOLWFSCVHQKSA-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.62
Rot. Bonds8

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

1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine (PubChem CID 134135927) has the molecular formula C26H28F2N2OS and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine
PubChem CID134135927
Molecular FormulaC26H28F2N2OS
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC Name1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine
SMILESO=S(CCN1CCN(Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H28F2N2OS/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)32(31)19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2
InChIKeyUFOLWFSCVHQKSA-UHFFFAOYSA-N
XLogP4.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Flunarizine
CID 941361
1-(Bis(4-fluorophenyl)methyl)-4-(3-phenyl-2-propen-1-yl)piperazine
CID 3378
1-Benzyl-4-(2-[(4-fluorophenyl)sulfonyl]ethyl)piperazine
CID 608940
1-(2-((Bis(4-fluorophenyl)methyl)thio)ethyl)-4-(3-phenylpropyl)piperazine
CID 90389493
1-(2-(Benzhydrylthio)ethyl)-4-(3-phenylpropyl)piperazine
CID 90389497
1-(2-(Benzhydrylsulfinyl)ethyl)-4-(3-phenylpropyl)piperazine
CID 90389499
1-(2-((Bis(4-fluorophenyl)methyl)sulfinyl)ethyl)-4-(3-phenylpropyl)piperazine
CID 90389617
1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 142590703
N-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 142590721
1-benzyl-N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperidin-4-amine
CID 142590729
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 142590731
N-benzyl-1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperidin-4-amine
CID 155769422

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine (CID 134135927) is 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine is O=S(CCN1CCN(Cc2ccccc2)CC1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine?
The InChIKey is UFOLWFSCVHQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2OS/c27-24-10-6-22(7-11-24)26(23-8-12-25(28)13-9-23)32(31)19-18-29-14-16-30(17-15-29)20-21-4-2-1-3-5-21/h1-13,26H,14-20H2.
What are the key properties of 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine?
1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine has a molecular weight of 454.59 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine is sourced from PubChem (CID 134135927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).