1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine

C22H26N2O2 — CID 46914621

IUPAC1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3
InChIKeyPFNUVBPVMKJIAZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.15
Rot. Bonds6

About 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine

1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine (PubChem CID 46914621) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine
PubChem CID46914621
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine
SMILESCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3
InChIKeyPFNUVBPVMKJIAZ-UHFFFAOYSA-N
XLogP4.15
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.15
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-[(3-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine (CID 46914621) is 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine is CCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine?
The InChIKey is PFNUVBPVMKJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-25-20-8-5-6-18(14-20)16-23-10-12-24(13-11-23)17-21-15-19-7-3-4-9-22(19)26-21/h3-9,14-15H,2,10-13,16-17H2,1H3.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine?
1-(1-benzofuran-2-ylmethyl)-4-[(3-ethoxyphenyl)methyl]piperazine has a molecular weight of 350.46 g/mol, XLogP of 4.15, 6 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-[(3-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 46914621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).