1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine

C28H28F2N2O2 — CID 10576013

IUPAC1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H28F2N2O2/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)33-18-17-31-13-15-32(16-14-31)20-26-19-23-3-1-2-4-27(23)34-26/h1-12,19,28H,13-18,20H2
InChIKeySBTDJHOMUMWMRI-UHFFFAOYSA-N
MW462.54 g/mol
LogP5.63
Rot. Bonds8

About 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine

1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine (PubChem CID 10576013) has the molecular formula C28H28F2N2O2 and a molecular weight of 462.54 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
PubChem CID10576013
Molecular FormulaC28H28F2N2O2
Molecular Weight462.54 g/mol
Exact Mass462.21
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine
SMILESFc1ccc(C(OCCN2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H28F2N2O2/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)33-18-17-31-13-15-32(16-14-31)20-26-19-23-3-1-2-4-27(23)34-26/h1-12,19,28H,13-18,20H2
InChIKeySBTDJHOMUMWMRI-UHFFFAOYSA-N
XLogP5.63
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine (CID 10576013) is 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine is Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
The InChIKey is SBTDJHOMUMWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2O2/c29-24-9-5-21(6-10-24)28(22-7-11-25(30)12-8-22)33-18-17-31-13-15-32(16-14-31)20-26-19-23-3-1-2-4-27(23)34-26/h1-12,19,28H,13-18,20H2.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine?
1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine has a molecular weight of 462.54 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine is sourced from PubChem (CID 10576013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).