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

C22H26N2O2 — CID 46914620

IUPAC1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyPHIMDBFVULXZSR-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.15
Rot. Bonds6

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

1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine (PubChem CID 46914620) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine
PubChem CID46914620
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3
InChIKeyPHIMDBFVULXZSR-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-[(2-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine (CID 46914620) is 1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine is CCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine?
The InChIKey is PHIMDBFVULXZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-25-21-9-5-4-8-19(21)16-23-11-13-24(14-12-23)17-20-15-18-7-3-6-10-22(18)26-20/h3-10,15H,2,11-14,16-17H2,1H3.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-[(2-ethoxyphenyl)methyl]piperazine?
1-(1-benzofuran-2-ylmethyl)-4-[(2-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-[(2-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 46914620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).