tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

C18H23F3N2O2 — CID 124556035

IUPACtert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1N[C@H]2C(F)(F)F
InChIInChI=1S/C18H23F3N2O2/c1-16(2,3)25-15(24)23-10-8-17(9-11-23)12-6-4-5-7-13(12)22-14(17)18(19,20)21/h4-7,14,22H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyOTASCASONTYJDI-CQSZACIVSA-N
MW356.39 g/mol
LogP4.31
Rot. Bonds

About tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate

tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (PubChem CID 124556035) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
PubChem CID124556035
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Nametert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1N[C@H]2C(F)(F)F
InChIInChI=1S/C18H23F3N2O2/c1-16(2,3)25-15(24)23-10-8-17(9-11-23)12-6-4-5-7-13(12)22-14(17)18(19,20)21/h4-7,14,22H,8-11H2,1-3H3/t14-/m1/s1
InChIKeyOTASCASONTYJDI-CQSZACIVSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-oxospiro[1H-4,1-benzoxazepine-5,4'-piperidine]-1'-carboxylate
CID 71305419
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
(2R)-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylic acid
CID 69399881
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 142434061
tert-butyl 4-iodo-4-phenoxypiperidine-1-carboxylate
CID 121429990
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 170985255
tert-butyl 4-hydroxy-4-[2-(trifluoromethoxy)phenyl]azepane-1-carboxylate
CID 90061321
tert-butyl 4-fluoro-4-(2-phenylethynyl)piperidine-1-carboxylate
CID 10685859

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate (CID 124556035) is tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1N[C@H]2C(F)(F)F.
What is the InChIKey of tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is OTASCASONTYJDI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-16(2,3)25-15(24)23-10-8-17(9-11-23)12-6-4-5-7-13(12)22-14(17)18(19,20)21/h4-7,14,22H,8-11H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate?
tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 4.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 124556035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).