1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one

C23H26FNO — CID 10807863

IUPAC1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one
SMILESO=C(CCCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO/c24-20-9-7-19(8-10-20)22(26)6-3-15-25-16-13-23(14-17-25)12-11-18-4-1-2-5-21(18)23/h1-2,4-5,7-10H,3,6,11-17H2
InChIKeyDGDSZKSHJGFASX-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.77
Rot. Bonds5

About 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one

1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one (PubChem CID 10807863) has the molecular formula C23H26FNO and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one
PubChem CID10807863
Molecular FormulaC23H26FNO
Molecular Weight351.47 g/mol
Exact Mass351.20
IUPAC Name1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one
SMILESO=C(CCCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H26FNO/c24-20-9-7-19(8-10-20)22(26)6-3-15-25-16-13-23(14-17-25)12-11-18-4-1-2-5-21(18)23/h1-2,4-5,7-10H,3,6,11-17H2
InChIKeyDGDSZKSHJGFASX-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one (CID 10807863) is 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one is O=C(CCCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one?
The InChIKey is DGDSZKSHJGFASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO/c24-20-9-7-19(8-10-20)22(26)6-3-15-25-16-13-23(14-17-25)12-11-18-4-1-2-5-21(18)23/h1-2,4-5,7-10H,3,6,11-17H2.
What are the key properties of 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one?
1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one has a molecular weight of 351.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-1-one is sourced from PubChem (CID 10807863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).