N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline

C26H32N2O2 — CID 123671128

IUPACN,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline
SMILESCN(C)c1ccc(C=Cc2cc3ccc(OCCCN4CCCCC4)cc3o2)cc1
InChIInChI=1S/C26H32N2O2/c1-27(2)23-11-7-21(8-12-23)9-13-25-19-22-10-14-24(20-26(22)30-25)29-18-6-17-28-15-4-3-5-16-28/h7-14,19-20H,3-6,15-18H2,1-2H3
InChIKeyFMSDGAJQJTXILT-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.92
Rot. Bonds8

About N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline

N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline (PubChem CID 123671128) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline
PubChem CID123671128
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline
SMILESCN(C)c1ccc(C=Cc2cc3ccc(OCCCN4CCCCC4)cc3o2)cc1
InChIInChI=1S/C26H32N2O2/c1-27(2)23-11-7-21(8-12-23)9-13-25-19-22-10-14-24(20-26(22)30-25)29-18-6-17-28-15-4-3-5-16-28/h7-14,19-20H,3-6,15-18H2,1-2H3
InChIKeyFMSDGAJQJTXILT-UHFFFAOYSA-N
XLogP5.92
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline (CID 123671128) is N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline is CN(C)c1ccc(C=Cc2cc3ccc(OCCCN4CCCCC4)cc3o2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline?
The InChIKey is FMSDGAJQJTXILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-27(2)23-11-7-21(8-12-23)9-13-25-19-22-10-14-24(20-26(22)30-25)29-18-6-17-28-15-4-3-5-16-28/h7-14,19-20H,3-6,15-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline?
N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline has a molecular weight of 404.55 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline is sourced from PubChem (CID 123671128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).