2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine

C17H19N3O — CID 44573334

IUPAC2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine
SMILESNc1ccnc(N2CCC3(CC2)OCc2ccccc23)c1
InChIInChI=1S/C17H19N3O/c18-14-5-8-19-16(11-14)20-9-6-17(7-10-20)15-4-2-1-3-13(15)12-21-17/h1-5,8,11H,6-7,9-10,12H2,(H2,18,19)
InChIKeyMGQVSVUXSCNPLN-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.69
Rot. Bonds1

About 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine

2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine (PubChem CID 44573334) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine.

Molecular Properties

Compound Name2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine
PubChem CID44573334
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine
SMILESNc1ccnc(N2CCC3(CC2)OCc2ccccc23)c1
InChIInChI=1S/C17H19N3O/c18-14-5-8-19-16(11-14)20-9-6-17(7-10-20)15-4-2-1-3-13(15)12-21-17/h1-5,8,11H,6-7,9-10,12H2,(H2,18,19)
InChIKeyMGQVSVUXSCNPLN-UHFFFAOYSA-N
XLogP2.69
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine?
The IUPAC name of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine (CID 44573334) is 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine.
What is the SMILES notation for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine?
The canonical SMILES for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine is Nc1ccnc(N2CCC3(CC2)OCc2ccccc23)c1.
What is the InChIKey of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine?
The InChIKey is MGQVSVUXSCNPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-5-8-19-16(11-14)20-9-6-17(7-10-20)15-4-2-1-3-13(15)12-21-17/h1-5,8,11H,6-7,9-10,12H2,(H2,18,19).
What are the key properties of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine?
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpyridin-4-amine is sourced from PubChem (CID 44573334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).