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

C21H24N2O2 — CID 46914487

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 Name1-(1-benzofuran-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]piperazine
PubChem CID46914487
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(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
XLogP3.76
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 2777
CID 2777
CID 68664
CID 68664
CID 73346
CID 73346
CID 768761
CID 768761
CID 453439
CID 453439
CID 977492
CID 977492
CID 68993987
CID 68993987
CID 3819793
CID 3819793
CID 768762
CID 768762
CID 454421
CID 454421
CID 4883248
CID 4883248
CID 44189150
CID 44189150

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).