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873697-59-7 | 1-Piperazinecarboxylicacid, 4-[(3-amino-5-fluorophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 873697-59-7 Catalog No: AG004KOH MDL No:
Product Description
Catalog Number:
AG004KOH
Chemical Name:
1-Piperazinecarboxylicacid, 4-[(3-amino-5-fluorophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
873697-59-7
Molecular Formula:
C16H24FN3O2
Molecular Weight:
309.3791
IUPAC Name:
tert-butyl 4-[(3-amino-5-fluorophenyl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H24FN3O2/c1-16(2,3)22-15(21)20-6-4-19(5-7-20)11-12-8-13(17)10-14(18)9-12/h8-10H,4-7,11,18H2,1-3H3
InChI Key:
JCLPEMVDCIZCLI-UHFFFAOYSA-N
SMILES:
Nc1cc(CN2CCN(CC2)C(=O)OC(C)(C)C)cc(c1)F
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:
1
Isotope Atom Count:
0
Molecular Weight:
309.385g/mol
Monoisotopic Mass:
309.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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