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1160247-23-3,MFCD12198571
Catalog No.:AA000BCG
1160247-23-3 | Benzyl 5-methylspiro[indoline-3,4'-piperidine]-1'-carboxylate
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Technical Information
Catalog Number:
AA000BCG
Chemical Name:
Benzyl 5-methylspiro[indoline-3,4'-piperidine]-1'-carboxylate
CAS Number:
1160247-23-3
Molecular Formula:
C21H24N2O2
Molecular Weight:
336.4275
MDL Number:
MFCD12198571
IUPAC Name:
benzyl 5-methylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
InChI:
InChI=1S/C21H24N2O2/c1-16-7-8-19-18(13-16)21(15-22-19)9-11-23(12-10-21)20(24)25-14-17-5-3-2-4-6-17/h2-8,13,22H,9-12,14-15H2,1H3
InChI Key:
HWOPIKPGZDTYJV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C1(CCN(CC1)C(=O)OCc1ccccc1)CN2
Properties
Computed Properties
 
Complexity:
467  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.184g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
336.435g/mol
Monoisotopic Mass:
336.184g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
1160247-23-3 
BENZYL 5-METHYLSPIRO[INDOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE 
AJ-129416 
AX8245875 
CS-0038856 
Benzyl 5-Methylspiro[Indoline-3,4-Piperidine]-1-Carboxylate 
benzyl 5-methylspiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate 
Benzyl 5-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate 
Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 1,2-dihydro-5-methyl-, phenylmethyl ester 
C21H24N2O2 
benzyl5-methylspiro[indoline-3,4'-piperidine]-1'-carboxylate 
KS-00001BWH 
DTXSID00678288 
2631AA 
ZINC91297395 
AKOS016011460 
AM802987 
OR315458 
Literature
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