1-(1-benzofuran-7-yl)-4-hexylpiperazine

C18H26N2O — CID 14960340

IUPAC1-(1-benzofuran-7-yl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-10-19-11-13-20(14-12-19)17-8-6-7-16-9-15-21-18(16)17/h6-9,15H,2-5,10-14H2,1H3
InChIKeyYKUWXGOULVGNCV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.14
Rot. Bonds6

About 1-(1-benzofuran-7-yl)-4-hexylpiperazine

1-(1-benzofuran-7-yl)-4-hexylpiperazine (PubChem CID 14960340) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-hexylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-hexylpiperazine
PubChem CID14960340
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(1-benzofuran-7-yl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-10-19-11-13-20(14-12-19)17-8-6-7-16-9-15-21-18(16)17/h6-9,15H,2-5,10-14H2,1H3
InChIKeyYKUWXGOULVGNCV-UHFFFAOYSA-N
XLogP4.14
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-4-hexylpiperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-hexylpiperazine (CID 14960340) is 1-(1-benzofuran-7-yl)-4-hexylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-hexylpiperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-hexylpiperazine is CCCCCCN1CCN(c2cccc3ccoc23)CC1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-hexylpiperazine?
The InChIKey is YKUWXGOULVGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-4-5-10-19-11-13-20(14-12-19)17-8-6-7-16-9-15-21-18(16)17/h6-9,15H,2-5,10-14H2,1H3.
What are the key properties of 1-(1-benzofuran-7-yl)-4-hexylpiperazine?
1-(1-benzofuran-7-yl)-4-hexylpiperazine has a molecular weight of 286.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)-4-hexylpiperazine is sourced from PubChem (CID 14960340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).