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857283-66-0 | 1-Piperidinecarboxylicacid, 4-[5-(hydroxymethyl)-4-methyl-2-thiazolyl]-, 1,1-dimethylethyl ester
CAS No: 857283-66-0 Catalog No: AG004P9D MDL No:MFCD07368658
Product Description
Catalog Number:
AG004P9D
Chemical Name:
1-Piperidinecarboxylicacid, 4-[5-(hydroxymethyl)-4-methyl-2-thiazolyl]-, 1,1-dimethylethyl ester
CAS Number:
857283-66-0
Molecular Formula:
C15H24N2O3S
Molecular Weight:
312.4277
MDL Number:
MFCD07368658
IUPAC Name:
tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate
InChI:
InChI=1S/C15H24N2O3S/c1-10-12(9-18)21-13(16-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h11,18H,5-9H2,1-4H3
InChI Key:
YNLQKGMVENCCLE-UHFFFAOYSA-N
SMILES:
OCc1sc(nc1C)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.151g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.428g/mol
Monoisotopic Mass:
312.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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