1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine

C17H17N3O — CID 155920137

IUPAC1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine
SMILESc1cc(-c2ccc3occc3c2)cc(N2CCNCC2)n1
InChIInChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2
InChIKeyBRUNUGURQIJSRJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds2

About 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine

1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine (PubChem CID 155920137) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine
PubChem CID155920137
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine
SMILESc1cc(-c2ccc3occc3c2)cc(N2CCNCC2)n1
InChIInChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2
InChIKeyBRUNUGURQIJSRJ-UHFFFAOYSA-N
XLogP2.90
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine (CID 155920137) is 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine is c1cc(-c2ccc3occc3c2)cc(N2CCNCC2)n1.
What is the InChIKey of 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine?
The InChIKey is BRUNUGURQIJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2.
What are the key properties of 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine?
1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine has a molecular weight of 279.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-5-yl)-2-pyridinyl]piperazine is sourced from PubChem (CID 155920137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).