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

C23H28N2O2 — CID 46914774

IUPAC1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine
SMILESCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3
InChIKeyYLTFHKSBGVTTMX-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.54
Rot. Bonds7

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

1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine (PubChem CID 46914774) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine
PubChem CID46914774
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine
SMILESCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3
InChIKeyYLTFHKSBGVTTMX-UHFFFAOYSA-N
XLogP4.54
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.54
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-propoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine (CID 46914774) is 1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine is CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine?
The InChIKey is YLTFHKSBGVTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-15-26-22-9-5-4-8-20(22)17-24-11-13-25(14-12-24)18-21-16-19-7-3-6-10-23(19)27-21/h3-10,16H,2,11-15,17-18H2,1H3.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine?
1-(1-benzofuran-2-ylmethyl)-4-[(2-propoxyphenyl)methyl]piperazine has a molecular weight of 364.49 g/mol, XLogP of 4.54, 7 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-propoxyphenyl)methyl]piperazine is sourced from PubChem (CID 46914774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).