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1260761-49-6 | 1-Piperidinecarboxylic acid, 4-(aminomethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS No: 1260761-49-6 Catalog No: AG000R5E MDL No:
Product Description
Catalog Number:
AG000R5E
Chemical Name:
1-Piperidinecarboxylic acid, 4-(aminomethyl)-3-(trifluoromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1260761-49-6
Molecular Formula:
C12H21F3N2O2
Molecular Weight:
282.3025
IUPAC Name:
tert-butyl 4-(aminomethyl)-3-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-5-4-8(6-16)9(7-17)12(13,14)15/h8-9H,4-7,16H2,1-3H3
InChI Key:
NXUPFJYYZIGTJY-UHFFFAOYSA-N
SMILES:
NCC1CCN(CC1C(F)(F)F)C(=O)OC(C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.156g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.307g/mol
Monoisotopic Mass:
282.156g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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