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

C18H19NO — CID 86733482

IUPAC1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(N2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C18H19NO/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)17-9-5-4-6-15(17)14-20-18/h1-9H,10-14H2
InChIKeyWIUBRYNUCGFVKQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.71
Rot. Bonds1

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

1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 86733482) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID86733482
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESc1ccc(N2CCC3(CC2)OCc2ccccc23)cc1
InChIInChI=1S/C18H19NO/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)17-9-5-4-6-15(17)14-20-18/h1-9H,10-14H2
InChIKeyWIUBRYNUCGFVKQ-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 86733482) is 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine] is c1ccc(N2CCC3(CC2)OCc2ccccc23)cc1.
What is the InChIKey of 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is WIUBRYNUCGFVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-7-16(8-3-1)19-12-10-18(11-13-19)17-9-5-4-6-15(17)14-20-18/h1-9H,10-14H2.
What are the key properties of 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 265.36 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 86733482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).