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1167055-93-7

1167055-93-7 | Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 1,1-dimethylethyl ester

CAS No: 1167055-93-7 Catalog No: AG000D1I MDL No:

Product Description

Catalog Number:
AG000D1I
Chemical Name:
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1167055-93-7
Molecular Formula:
C17H22N2O2
Molecular Weight:
286.3688
IUPAC Name:
tert-butyl spiro[indole-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C17H22N2O2/c1-16(2,3)21-15(20)19-10-8-17(9-11-19)12-18-14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3
InChI Key:
PFBAHEULGWNDNK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)C=Nc1c2cccc1)OC(C)(C)C

Properties

Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.168g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.375g/mol
Monoisotopic Mass:
286.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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