AG0013F1

1375064-57-5 | 1,4-Piperidinedicarboxylic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, 1-(1,1-dimethylethyl) 4-methyl ester

AG0013F1

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CAS Number	1375064-57-5
Catalog Number	AG0013F1(AGN-PC-0WAE3Q)
Chemical Name	1,4-Piperidinedicarboxylic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, 1-(1,1-dimethylethyl) 4-methyl ester
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
MDL Number	MFCD22192346
Molecular Formula	C14H21F3N2O5
Molecular Weight	354.3221
SMILES	COC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)NC(=O)C(F)(F)F
Synonyms	Methyl N-Boc-4-(trifluoroacetylamino)piperidine-4-carboxylate, 1375064-57-5, KS-00000ALB, C14H21F3N2O5, 7141AJ, MFCD22192346, ZINC90513090, AKOS024257145, TRA0055981, AS-32173, SY019285, TC-308600, K-4439, MFCD22192346 (97+%), MethylN-Boc-4-(trifluoroacetylamino)piperidine-4-carboxylate, 1-O-tert-butyl 4-O-methyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1,4-dicarboxylate, 1,4-Piperidinedicarboxylic acid, 4-[(2,2,2-trifluoroacetyl)amino]-, 1-(1,1-dimethylethyl) 4-methyl ester, 37777-76-7,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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