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

C17H24N2O — CID 14960345

IUPAC1-(1-benzofuran-7-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C17H24N2O/c1-2-3-4-9-18-10-12-19(13-11-18)16-7-5-6-15-8-14-20-17(15)16/h5-8,14H,2-4,9-13H2,1H3
InChIKeyJAPLCNXPUIWORJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.74
Rot. Bonds5

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

1-(1-benzofuran-7-yl)-4-pentylpiperazine (PubChem CID 14960345) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-pentylpiperazine
PubChem CID14960345
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(1-benzofuran-7-yl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C17H24N2O/c1-2-3-4-9-18-10-12-19(13-11-18)16-7-5-6-15-8-14-20-17(15)16/h5-8,14H,2-4,9-13H2,1H3
InChIKeyJAPLCNXPUIWORJ-UHFFFAOYSA-N
XLogP3.74
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.74
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-pentylpiperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-pentylpiperazine (CID 14960345) is 1-(1-benzofuran-7-yl)-4-pentylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-pentylpiperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-pentylpiperazine is CCCCCN1CCN(c2cccc3ccoc23)CC1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-pentylpiperazine?
The InChIKey is JAPLCNXPUIWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-4-9-18-10-12-19(13-11-18)16-7-5-6-15-8-14-20-17(15)16/h5-8,14H,2-4,9-13H2,1H3.
What are the key properties of 1-(1-benzofuran-7-yl)-4-pentylpiperazine?
1-(1-benzofuran-7-yl)-4-pentylpiperazine has a molecular weight of 272.39 g/mol, XLogP of 3.74, 5 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-pentylpiperazine is sourced from PubChem (CID 14960345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).