1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine

C21H24N2O — CID 3845148

IUPAC1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-2-6-18(7-3-1)10-11-22-12-14-23(15-13-22)17-20-16-19-8-4-5-9-21(19)24-20/h1-9,16H,10-15,17H2
InChIKeyZRTBNZDRQWDDGI-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.79
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine

1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine (PubChem CID 3845148) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine
PubChem CID3845148
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-2-6-18(7-3-1)10-11-22-12-14-23(15-13-22)17-20-16-19-8-4-5-9-21(19)24-20/h1-9,16H,10-15,17H2
InChIKeyZRTBNZDRQWDDGI-UHFFFAOYSA-N
XLogP3.79
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine (CID 3845148) is 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine is c1ccc(CCN2CCN(Cc3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine?
The InChIKey is ZRTBNZDRQWDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-6-18(7-3-1)10-11-22-12-14-23(15-13-22)17-20-16-19-8-4-5-9-21(19)24-20/h1-9,16H,10-15,17H2.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine?
1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine has a molecular weight of 320.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 3845148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).