3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C21H22FNO2 — CID 56986665

IUPAC3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1c2ccccc2OC2(CCNCC2)C1CCc1ccccc1F
InChIInChI=1S/C21H22FNO2/c22-18-7-3-1-5-15(18)9-10-17-20(24)16-6-2-4-8-19(16)25-21(17)11-13-23-14-12-21/h1-8,17,23H,9-14H2
InChIKeyVNESXUFEBLKHNQ-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.77
Rot. Bonds3

About 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one

3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 56986665) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID56986665
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1c2ccccc2OC2(CCNCC2)C1CCc1ccccc1F
InChIInChI=1S/C21H22FNO2/c22-18-7-3-1-5-15(18)9-10-17-20(24)16-6-2-4-8-19(16)25-21(17)11-13-23-14-12-21/h1-8,17,23H,9-14H2
InChIKeyVNESXUFEBLKHNQ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 56986665) is 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1c2ccccc2OC2(CCNCC2)C1CCc1ccccc1F.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is VNESXUFEBLKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c22-18-7-3-1-5-15(18)9-10-17-20(24)16-6-2-4-8-19(16)25-21(17)11-13-23-14-12-21/h1-8,17,23H,9-14H2.
What are the key properties of 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 339.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 56986665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).