1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine

C20H21FN2O — CID 56909995

IUPAC1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3ccc4occc4c3)CC2)c1
InChIInChI=1S/C20H21FN2O/c21-19-3-1-2-16(13-19)14-22-7-9-23(10-8-22)15-17-4-5-20-18(12-17)6-11-24-20/h1-6,11-13H,7-10,14-15H2
InChIKeyVFMKKTFTQZZVRZ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.89
Rot. Bonds4

About 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine

1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine (PubChem CID 56909995) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine
PubChem CID56909995
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine
SMILESFc1cccc(CN2CCN(Cc3ccc4occc4c3)CC2)c1
InChIInChI=1S/C20H21FN2O/c21-19-3-1-2-16(13-19)14-22-7-9-23(10-8-22)15-17-4-5-20-18(12-17)6-11-24-20/h1-6,11-13H,7-10,14-15H2
InChIKeyVFMKKTFTQZZVRZ-UHFFFAOYSA-N
XLogP3.89
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine (CID 56909995) is 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine is Fc1cccc(CN2CCN(Cc3ccc4occc4c3)CC2)c1.
What is the InChIKey of 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine?
The InChIKey is VFMKKTFTQZZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c21-19-3-1-2-16(13-19)14-22-7-9-23(10-8-22)15-17-4-5-20-18(12-17)6-11-24-20/h1-6,11-13H,7-10,14-15H2.
What are the key properties of 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine?
1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine has a molecular weight of 324.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-ylmethyl)-4-[(3-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 56909995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).