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887583-76-8 | 1-Piperidinecarboxylicacid, 4-[(3-bromophenyl)amino]-, 1,1-dimethylethyl ester
CAS No: 887583-76-8 Catalog No: AG004DV9 MDL No:
Product Description
Catalog Number:
AG004DV9
Chemical Name:
1-Piperidinecarboxylicacid, 4-[(3-bromophenyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
887583-76-8
Molecular Formula:
C16H23BrN2O2
Molecular Weight:
355.2700
IUPAC Name:
tert-butyl 4-(3-bromoanilino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-9-7-13(8-10-19)18-14-6-4-5-12(17)11-14/h4-6,11,13,18H,7-10H2,1-3H3
InChI Key:
FZGSREXRJUNLIK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.276g/mol
Monoisotopic Mass:
354.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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