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1004304-10-2 | 1-Piperidinecarboxylic acid, 4-[(2-amino-4-fluorophenyl)amino]-, 1,1-dimethylethyl ester
CAS No: 1004304-10-2 Catalog No: AG0001ZE MDL No:
Product Description
Catalog Number:
AG0001ZE
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(2-amino-4-fluorophenyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1004304-10-2
Molecular Formula:
C16H24FN3O2
Molecular Weight:
309.3791
IUPAC Name:
tert-butyl 4-(2-amino-4-fluoroanilino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)20-8-6-12(7-9-20)19-14-5-4-11(17)10-13(14)18/h4-5,10,12,19H,6-9,18H2,1-3H3
InChI Key:
NWSVIWVVPNTIQK-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)N)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.185g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.385g/mol
Monoisotopic Mass:
309.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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