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1375064-57-5 | 1,4-Piperidinedicarboxylic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS No: 1375064-57-5 Catalog No: AG0013F1 MDL No:MFCD22192346
Product Description
Catalog Number:
AG0013F1
Chemical Name:
1,4-Piperidinedicarboxylic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, 1-(1,1-dimethylethyl) 4-methyl ester
CAS Number:
1375064-57-5
Molecular Formula:
C14H21F3N2O5
Molecular Weight:
354.3221
MDL Number:
MFCD22192346
IUPAC Name:
1-O-tert-butyl 4-O-methyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1,4-dicarboxylate
InChI:
InChI=1S/C14H21F3N2O5/c1-12(2,3)24-11(22)19-7-5-13(6-8-19,10(21)23-4)18-9(20)14(15,16)17/h5-8H2,1-4H3,(H,18,20)
InChI Key:
MMJAEXJLAJEDOU-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)NC(=O)C(F)(F)F
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.326g/mol
Monoisotopic Mass:
354.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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