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

Name: 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₄N₂O₂ — CID 46914487

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine

SMILESCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1

InChIInChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3

InChIKeyYCWVGXHIBUBRER-UHFFFAOYSA-N

MW336.44 g/mol

LogP3.76

Rot. Bonds5

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

1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine (PubChem CID 46914487) has the molecular formula C₂₁H₂₄N₂O₂ and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name	1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID	46914487
Molecular Formula	C₂₁H₂₄N₂O₂
Molecular Weight	336.44 g/mol
Exact Mass	336.18
IUPAC Name	1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine
SMILES	COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChI	InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3
InChIKey	YCWVGXHIBUBRER-UHFFFAOYSA-N
XLogP	3.76
TPSA	28.85 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine?

The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine (CID 46914487) is 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine.

What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine?

The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1.

What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine?

The InChIKey is YCWVGXHIBUBRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-24-19-8-6-17(7-9-19)15-22-10-12-23(13-11-22)16-20-14-18-4-2-3-5-21(18)25-20/h2-9,14H,10-13,15-16H2,1H3.

What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine?

1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine has a molecular weight of 336.44 g/mol, XLogP of 3.76, 5 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-[(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 46914487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 46914487 — identifiers, structure, computed properties (public domain)

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