1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine

C22H26N2O — CID 162651433

IUPAC1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC2Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C22H26N2O/c1-2-10-23-11-13-24(14-12-23)17-21-16-20-15-19(8-9-22(20)25-21)18-6-4-3-5-7-18/h2-9,15,21H,1,10-14,16-17H2
InChIKeyNBRIRKLUFVZTEF-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.46
Rot. Bonds5

About 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine

1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine (PubChem CID 162651433) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine
PubChem CID162651433
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC2Cc3cc(-c4ccccc4)ccc3O2)CC1
InChIInChI=1S/C22H26N2O/c1-2-10-23-11-13-24(14-12-23)17-21-16-20-15-19(8-9-22(20)25-21)18-6-4-3-5-7-18/h2-9,15,21H,1,10-14,16-17H2
InChIKeyNBRIRKLUFVZTEF-UHFFFAOYSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine (CID 162651433) is 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine is C=CCN1CCN(CC2Cc3cc(-c4ccccc4)ccc3O2)CC1.
What is the InChIKey of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine?
The InChIKey is NBRIRKLUFVZTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-10-23-11-13-24(14-12-23)17-21-16-20-15-19(8-9-22(20)25-21)18-6-4-3-5-7-18/h2-9,15,21H,1,10-14,16-17H2.
What are the key properties of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine?
1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine has a molecular weight of 334.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 162651433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).