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1289387-85-4 | 1-Piperidinecarboxylic acid, 4-[[1-(2-thiazolyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS No: 1289387-85-4 Catalog No: AG000YNA MDL No:
Product Description
Catalog Number:
AG000YNA
Chemical Name:
1-Piperidinecarboxylic acid, 4-[[1-(2-thiazolyl)ethyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
1289387-85-4
Molecular Formula:
C15H25N3O2S
Molecular Weight:
311.4429
IUPAC Name:
tert-butyl 4-[1-(1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C15H25N3O2S/c1-11(13-16-7-10-21-13)17-12-5-8-18(9-6-12)14(19)20-15(2,3)4/h7,10-12,17H,5-6,8-9H2,1-4H3
InChI Key:
JDHIYJVEFBSJLC-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NC(c1nccs1)C)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.444g/mol
Monoisotopic Mass:
311.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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