1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine

C15H20N2O — CID 82385549

IUPAC1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine
SMILESCC(C)c1coc2cccc(N3CCNCC3)c12
InChIInChI=1S/C15H20N2O/c1-11(2)12-10-18-14-5-3-4-13(15(12)14)17-8-6-16-7-9-17/h3-5,10-11,16H,6-9H2,1-2H3
InChIKeyZFZVQRSKADJARS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds2

About 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine

1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine (PubChem CID 82385549) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine.

Molecular Properties

Compound Name1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine
PubChem CID82385549
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine
SMILESCC(C)c1coc2cccc(N3CCNCC3)c12
InChIInChI=1S/C15H20N2O/c1-11(2)12-10-18-14-5-3-4-13(15(12)14)17-8-6-16-7-9-17/h3-5,10-11,16H,6-9H2,1-2H3
InChIKeyZFZVQRSKADJARS-UHFFFAOYSA-N
XLogP2.97
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine?
The IUPAC name of 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine (CID 82385549) is 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine.
What is the SMILES notation for 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine?
The canonical SMILES for 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine is CC(C)c1coc2cccc(N3CCNCC3)c12.
What is the InChIKey of 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine?
The InChIKey is ZFZVQRSKADJARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)12-10-18-14-5-3-4-13(15(12)14)17-8-6-16-7-9-17/h3-5,10-11,16H,6-9H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine?
1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine has a molecular weight of 244.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine is sourced from PubChem (CID 82385549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).