1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]

C20H23NO2 — CID 10357986

IUPAC1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCOC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeyRZZAEVQHACUOGI-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.85
Rot. Bonds3

About 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]

1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 10357986) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID10357986
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCOC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeyRZZAEVQHACUOGI-UHFFFAOYSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine] (CID 10357986) is 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine] is COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is RZZAEVQHACUOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]?
1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 309.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-methoxyspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 10357986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).