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

C18H19NO2 — CID 3046181

IUPAC1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESON1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H19NO2/c20-19-12-10-18(11-13-19)16-9-5-4-8-15(16)17(21-18)14-6-2-1-3-7-14/h1-9,17,20H,10-13H2
InChIKeyGMKGNDHDYWUCBK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.49
Rot. Bonds1

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

1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 3046181) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID3046181
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
SMILESON1CCC2(CC1)OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H19NO2/c20-19-12-10-18(11-13-19)16-9-5-4-8-15(16)17(21-18)14-6-2-1-3-7-14/h1-9,17,20H,10-13H2
InChIKeyGMKGNDHDYWUCBK-UHFFFAOYSA-N
XLogP3.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] (CID 3046181) is 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] is ON1CCC2(CC1)OC(c1ccccc1)c1ccccc12.
What is the InChIKey of 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is GMKGNDHDYWUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-19-12-10-18(11-13-19)16-9-5-4-8-15(16)17(21-18)14-6-2-1-3-7-14/h1-9,17,20H,10-13H2.
What are the key properties of 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]?
1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 281.36 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-hydroxy-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 3046181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).