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1001754-82-0,MFCD10001439
Catalog No.:AA00012K
1001754-82-0 | 1-Piperidinecarboxylic acid, 4-(2-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester
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Technical Information
Catalog Number:
AA00012K
Chemical Name:
1-Piperidinecarboxylic acid, 4-(2-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1001754-82-0
Molecular Formula:
C14H20ClN3O2
Molecular Weight:
297.7805
MDL Number:
MFCD10001439
IUPAC Name:
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H20ClN3O2/c1-14(2,3)20-13(19)18-8-5-10(6-9-18)11-4-7-16-12(15)17-11/h4,7,10H,5-6,8-9H2,1-3H3
InChI Key:
QLZAPBRELYGZIY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ccnc(n1)Cl)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.124g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.783g/mol
Monoisotopic Mass:
297.124g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
tert-Butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate 
1001754-82-0 
ZINC35270256 
AKOS015841272 
RP07777 
AJ-91091 
AK-77873 
AS-54594 
BP-11933 
BR-77873 
OR322778 
AX8224363 
1-BOC-4-(2-CHLOROPYRIMIDIN-4-YL)PIPERIDINE 
DB-058320 
TC-068424 
FT-0685724 
ST24025915 
X8480 
S-6286 
J-524593 
I14-12409 
1-Piperidinecarboxylic acid, 4-(2-chloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester 
C14H20ClN3O2 
TERT-BUTYL-4-(2-CHLOROPYRIMIDIN-4-YL)PIPERIDINE-1-CARBOXYLATE 
tert-Butyl4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate 
W-204351 
CTK7G2789 
DTXSID30676676 
ANW-48532 
MFCD10001439 
SC1311 
Literature
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