1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine

C20H22N2O — CID 5009938

IUPAC1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine
SMILESc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2
InChIKeyPBMOMMUCOYVEFZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.75
Rot. Bonds4

About 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine

1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine (PubChem CID 5009938) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine
PubChem CID5009938
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine
SMILESc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2
InChIKeyPBMOMMUCOYVEFZ-UHFFFAOYSA-N
XLogP3.75
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.75
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-benzylpiperazine?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine (CID 5009938) is 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine is c1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine?
The InChIKey is PBMOMMUCOYVEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-6-17(7-3-1)15-21-10-12-22(13-11-21)16-19-14-18-8-4-5-9-20(18)23-19/h1-9,14H,10-13,15-16H2.
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine?
1-(1-benzofuran-2-ylmethyl)-4-benzylpiperazine has a molecular weight of 306.41 g/mol, XLogP of 3.75, 4 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-benzylpiperazine is sourced from PubChem (CID 5009938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).