1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine

C28H31ClF2N2O — CID 3253067

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H31ClF2N2O/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h3-14,28H,1-2,15-21H2
InChIKeyUSGPDESLGQZHAK-UHFFFAOYSA-N
MW485.02 g/mol
LogP5.97
Rot. Bonds10

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine (PubChem CID 3253067) has the molecular formula C28H31ClF2N2O and a molecular weight of 485.02 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine
PubChem CID3253067
Molecular FormulaC28H31ClF2N2O
Molecular Weight485.02 g/mol
Exact Mass484.21
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H31ClF2N2O/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h3-14,28H,1-2,15-21H2
InChIKeyUSGPDESLGQZHAK-UHFFFAOYSA-N
XLogP5.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.02
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine (CID 3253067) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine is Fc1ccc(C(OCCN2CCN(CCCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine?
The InChIKey is USGPDESLGQZHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF2N2O/c29-25-9-3-22(4-10-25)2-1-15-32-16-18-33(19-17-32)20-21-34-28(23-5-11-26(30)12-6-23)24-7-13-27(31)14-8-24/h3-14,28H,1-2,15-21H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine has a molecular weight of 485.02 g/mol, XLogP of 5.97, 10 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)methoxy]ethyl]-4-[3-(4-chlorophenyl)propyl]piperazine is sourced from PubChem (CID 3253067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).