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

C26H27ClF2N2S — CID 134138482

IUPAC1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine
SMILESFc1ccc(C(SCCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H27ClF2N2S/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-32-26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2
InChIKeyRZKMAMGURFKTKH-UHFFFAOYSA-N
MW473.03 g/mol
LogP6.26
Rot. Bonds8

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

1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine (PubChem CID 134138482) has the molecular formula C26H27ClF2N2S and a molecular weight of 473.03 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine
PubChem CID134138482
Molecular FormulaC26H27ClF2N2S
Molecular Weight473.03 g/mol
Exact Mass472.16
IUPAC Name1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine
SMILESFc1ccc(C(SCCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H27ClF2N2S/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-32-26(21-3-9-24(28)10-4-21)22-5-11-25(29)12-6-22/h1-12,26H,13-19H2
InChIKeyRZKMAMGURFKTKH-UHFFFAOYSA-N
XLogP6.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.03
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Clocinizine
CID 5375618
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-cyclohexylpiperazine
CID 118119338
1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 142590713
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 142590717
1-[2-[Bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 134132941
1-Benzyl-4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazine
CID 134135927
1-[2-[Bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 134141443
2-[Bis(4-fluorophenyl)methylsulfinyl]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 134146246
1-Benzyl-4-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperazine
CID 134148308
2-[Bis(4-fluorophenyl)methylsulfanyl]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 134152435
1-[2-[Bis(4-fluorophenyl)methylsulfinyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 134153223
1-[2-[Bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 134155550

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine (CID 134138482) is 1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine is Fc1ccc(C(SCCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine?
The InChIKey is RZKMAMGURFKTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF2N2S/c27-23-7-1-20(2-8-23)19-31-15-13-30(14-16-31)17-18-32-26(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)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine?
1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine has a molecular weight of 473.03 g/mol, XLogP of 6.26, 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)methylsulfanyl]ethyl]-4-[(4-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 134138482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).