tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate

C18H24FNO3 — CID 167019458

IUPACtert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)ccc1C2O
InChIInChI=1S/C18H24FNO3/c1-17(2,3)23-16(22)20-8-6-18(7-9-20)11-12-10-13(19)4-5-14(12)15(18)21/h4-5,10,15,21H,6-9,11H2,1-3H3
InChIKeyWGAMIAYRDVNHAY-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.43
Rot. Bonds

About tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate

tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate (PubChem CID 167019458) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
PubChem CID167019458
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Nametert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)ccc1C2O
InChIInChI=1S/C18H24FNO3/c1-17(2,3)23-16(22)20-8-6-18(7-9-20)11-12-10-13(19)4-5-14(12)15(18)21/h4-5,10,15,21H,6-9,11H2,1-3H3
InChIKeyWGAMIAYRDVNHAY-UHFFFAOYSA-N
XLogP3.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate (CID 167019458) is tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1cc(F)ccc1C2O.
What is the InChIKey of tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is WGAMIAYRDVNHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-17(2,3)23-16(22)20-8-6-18(7-9-20)11-12-10-13(19)4-5-14(12)15(18)21/h4-5,10,15,21H,6-9,11H2,1-3H3.
What are the key properties of tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate?
tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 321.39 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-fluoro-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 167019458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).