1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one

C23H26FNO2 — CID 56907372

IUPAC1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one
SMILESO=C(CCCN1CCC2(CC1)c1ccccc1CC2O)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO2/c24-19-9-7-17(8-10-19)21(26)6-3-13-25-14-11-23(12-15-25)20-5-2-1-4-18(20)16-22(23)27/h1-2,4-5,7-10,22,27H,3,6,11-16H2
InChIKeyIDONYEZWSZXMCJ-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.74
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one

1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one (PubChem CID 56907372) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one
PubChem CID56907372
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC Name1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one
SMILESO=C(CCCN1CCC2(CC1)c1ccccc1CC2O)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO2/c24-19-9-7-17(8-10-19)21(26)6-3-13-25-14-11-23(12-15-25)20-5-2-1-4-18(20)16-22(23)27/h1-2,4-5,7-10,22,27H,3,6,11-16H2
InChIKeyIDONYEZWSZXMCJ-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one (CID 56907372) is 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one is O=C(CCCN1CCC2(CC1)c1ccccc1CC2O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one?
The InChIKey is IDONYEZWSZXMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c24-19-9-7-17(8-10-19)21(26)6-3-13-25-14-11-23(12-15-25)20-5-2-1-4-18(20)16-22(23)27/h1-2,4-5,7-10,22,27H,3,6,11-16H2.
What are the key properties of 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one?
1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one has a molecular weight of 367.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)butan-1-one is sourced from PubChem (CID 56907372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).