tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate

C18H21F2NO2 — CID 10087410

IUPACtert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C18H21F2NO2/c1-17(2,3)23-16(22)21-8-6-18(7-9-21)5-4-12-10-14(19)15(20)11-13(12)18/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRNSANVLAUXDJSM-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.26
Rot. Bonds

About tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate

tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate (PubChem CID 10087410) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate
PubChem CID10087410
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC Nametert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3cc(F)c(F)cc32)CC1
InChIInChI=1S/C18H21F2NO2/c1-17(2,3)23-16(22)21-8-6-18(7-9-21)5-4-12-10-14(19)15(20)11-13(12)18/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRNSANVLAUXDJSM-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 5-bromospiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10451390
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate
CID 10358229
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl 4-[(3,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 154662489
tert-butyl 4,5,6-trifluoro-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142434181
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-(2-amino-2-oxoethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 71623364
tert-butyl 3-(3,5-difluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 67403681
4-[(3,5-difluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074210
tert-butyl 4-(5-fluoro-2-phenylsulfanylphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68683892
tert-butyl 4-(2,5-difluorobenzoyl)-4-hydroxypiperidine-1-carboxylate
CID 139511949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate (CID 10087410) is tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=Cc3cc(F)c(F)cc32)CC1.
What is the InChIKey of tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is RNSANVLAUXDJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-17(2,3)23-16(22)21-8-6-18(7-9-21)5-4-12-10-14(19)15(20)11-13(12)18/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate?
tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,6-difluorospiro[indene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 10087410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).