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180465-84-3 | Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 1,2-dihydro-, 1,1-dimethylethyl ester
CAS No: 180465-84-3 Catalog No: AG002204 MDL No:MFCD09953258
Product Description
Catalog Number:
AG002204
Chemical Name:
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 1,2-dihydro-, 1,1-dimethylethyl ester
CAS Number:
180465-84-3
Molecular Formula:
C17H24N2O2
Molecular Weight:
288.3847
MDL Number:
MFCD09953258
IUPAC Name:
tert-butyl spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-10-8-17(9-11-19)12-18-14-7-5-4-6-13(14)17/h4-7,18H,8-12H2,1-3H3
InChI Key:
AENCMIPDBWGMRS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CNc1c2cccc1)OC(C)(C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.184g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.391g/mol
Monoisotopic Mass:
288.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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