1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]

C21H24FNO — CID 71719166

IUPAC1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILES[17F]CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2/i22-2
InChIKeyLDFPQKADFLEDQV-ONBQKKEBSA-N
MW323.43 g/mol
LogP4.61
Rot. Bonds4

About 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]

1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 71719166) has the molecular formula C21H24FNO and a molecular weight of 323.43 g/mol. Its IUPAC name is 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID71719166
Molecular FormulaC21H24FNO
Molecular Weight323.43 g/mol
Exact Mass323.19
IUPAC Name1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILES[17F]CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2/i22-2
InChIKeyLDFPQKADFLEDQV-ONBQKKEBSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 71719166) is 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is [17F]CCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is LDFPQKADFLEDQV-ONBQKKEBSA-N. The full InChI is InChI=1S/C21H24FNO/c22-13-10-20-18-8-4-5-9-19(18)21(24-20)11-14-23(15-12-21)16-17-6-2-1-3-7-17/h1-9,20H,10-16H2/i22-2.
What are the key properties of 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine]?
1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 323.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-1-(2-(17F)fluoroethyl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 71719166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).