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1234710-03-2 | 1-Piperidinecarboxylic acid, 4-(5-methyl-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1234710-03-2 Catalog No: AG000KNN MDL No:MFCD24368597
Product Description
Catalog Number:
AG000KNN
Chemical Name:
1-Piperidinecarboxylic acid, 4-(5-methyl-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1234710-03-2
Molecular Formula:
C14H23N3O2
Molecular Weight:
265.3513
MDL Number:
MFCD24368597
IUPAC Name:
tert-butyl 4-(5-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H23N3O2/c1-10-9-15-12(16-10)11-5-7-17(8-6-11)13(18)19-14(2,3)4/h9,11H,5-8H2,1-4H3,(H,15,16)
InChI Key:
USNVYNMHOCZYEK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1ncc([nH]1)C)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.357g/mol
Monoisotopic Mass:
265.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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