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1159982-64-5 | 1-Piperidinecarboxylic acid, 4-(1-amino-2,2,2-trifluoroethyl)-, 1,1-dimethylethyl ester
CAS No: 1159982-64-5 Catalog No: AG000HF7 MDL No:MFCD17015048
Product Description
Catalog Number:
AG000HF7
Chemical Name:
1-Piperidinecarboxylic acid, 4-(1-amino-2,2,2-trifluoroethyl)-, 1,1-dimethylethyl ester
CAS Number:
1159982-64-5
Molecular Formula:
C12H21F3N2O2
Molecular Weight:
282.3025
MDL Number:
MFCD17015048
IUPAC Name:
tert-butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H21F3N2O2/c1-11(2,3)19-10(18)17-6-4-8(5-7-17)9(16)12(13,14)15/h8-9H,4-7,16H2,1-3H3
InChI Key:
USFSKVYSEAUBSL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)C(C(F)(F)F)N)OC(C)(C)C
Properties
Complexity:
318
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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