1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine

C19H22N2O — CID 82020518

IUPAC1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
SMILESc1ccc(-c2ccc3c(c2)CC(CN2CCNCC2)O3)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-15(5-3-1)16-6-7-19-17(12-16)13-18(22-19)14-21-10-8-20-9-11-21/h1-7,12,18,20H,8-11,13-14H2
InChIKeyALJTZVUWUVANKY-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.56
Rot. Bonds3

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

1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine (PubChem CID 82020518) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
PubChem CID82020518
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
SMILESc1ccc(-c2ccc3c(c2)CC(CN2CCNCC2)O3)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-15(5-3-1)16-6-7-19-17(12-16)13-18(22-19)14-21-10-8-20-9-11-21/h1-7,12,18,20H,8-11,13-14H2
InChIKeyALJTZVUWUVANKY-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
The IUPAC name of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine (CID 82020518) is 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine is c1ccc(-c2ccc3c(c2)CC(CN2CCNCC2)O3)cc1.
What is the InChIKey of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
The InChIKey is ALJTZVUWUVANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-4-15(5-3-1)16-6-7-19-17(12-16)13-18(22-19)14-21-10-8-20-9-11-21/h1-7,12,18,20H,8-11,13-14H2.
What are the key properties of 1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine?
1-[(5-phenyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine has a molecular weight of 294.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 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]piperazine is sourced from PubChem (CID 82020518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).