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

C26H30F2N2O2 — CID 10094793

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3ccco3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H30F2N2O2/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)32-20-18-30-16-14-29(15-17-30)13-1-3-25-4-2-19-31-25/h2,4-12,19,26H,1,3,13-18,20H2
InChIKeyHBCIRTUVEMENFI-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.91
Rot. Bonds10

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

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine (PubChem CID 10094793) has the molecular formula C26H30F2N2O2 and a molecular weight of 440.53 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine
PubChem CID10094793
Molecular FormulaC26H30F2N2O2
Molecular Weight440.53 g/mol
Exact Mass440.23
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3ccco3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H30F2N2O2/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)32-20-18-30-16-14-29(15-17-30)13-1-3-25-4-2-19-31-25/h2,4-12,19,26H,1,3,13-18,20H2
InChIKeyHBCIRTUVEMENFI-UHFFFAOYSA-N
XLogP4.91
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine (CID 10094793) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine is Fc1ccc(C(OCCN2CCN(CCCc3ccco3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine?
The InChIKey is HBCIRTUVEMENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O2/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)32-20-18-30-16-14-29(15-17-30)13-1-3-25-4-2-19-31-25/h2,4-12,19,26H,1,3,13-18,20H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine has a molecular weight of 440.53 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-[3-(furan-2-yl)propyl]piperazine is sourced from PubChem (CID 10094793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).