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1000207-52-2,MFCD28053709
Catalog No.:AA000081
1000207-52-2 | 1-Piperidinecarboxylic acid, 4-[(2-chloro-6,7-dihydro-5H-cyclopentapyrimidin-4-yl)amino]-, 1,1-dimethylethyl ester
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1g
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Technical Information
Catalog Number:
AA000081
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(2-chloro-6,7-dihydro-5H-cyclopentapyrimidin-4-yl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1000207-52-2
Molecular Formula:
C17H25ClN4O2
Molecular Weight:
352.8590
MDL Number:
MFCD28053709
IUPAC Name:
tert-butyl 4-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25ClN4O2/c1-17(2,3)24-16(23)22-9-7-11(8-10-22)19-14-12-5-4-6-13(12)20-15(18)21-14/h11H,4-10H2,1-3H3,(H,19,20,21)
InChI Key:
UZLCQUCIVGMPHU-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Nc1nc(Cl)nc2c1CCC2)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.167g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
352.863g/mol
Monoisotopic Mass:
352.167g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

Synonyms
 
1000207-52-2 
tert-butyl 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)piperidine-1-carboxylate 
AK162706 
AX8294754 
CS-0060931 
1-Piperidinecarboxylic acid, 4-[(2-chloro-6,7-dihydro-5H-cyclopentapyrimidin-4-yl)amino]-, 1,1-dimethylethyl ester 
4-(2-Chloro-6,7-dihydro-5H-cyclopentapyrimidin-4-ylamino)-piperidine-1-carboxylic acid tert-butyl ester 
tert-Butyl 4-((2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)piperidine-1-carboxylate 
tert-Butyl 4-(2-chloro-6,7-dihydro-5H-cyclopenta-[d]pyrimidin-4-ylamino)piperidine-1-carboxylate 
tert-butyl 4-[(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]piperidine-1-carboxylate 
SCHEMBL1748305 
UZLCQUCIVGMPHU-UHFFFAOYSA-N 
MFCD28053709 
ZINC98213257 
AKOS024463030 
Literature
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