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57260-70-5 | tert-Butyl 4-benzylpiperazine-1-carboxylate
CAS No: 57260-70-5 Catalog No: AG003UK5 MDL No:MFCD00075603
Product Description
Catalog Number:
AG003UK5
Chemical Name:
tert-Butyl 4-benzylpiperazine-1-carboxylate
CAS Number:
57260-70-5
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD00075603
IUPAC Name:
tert-butyl 4-benzylpiperazine-1-carboxylate
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3
InChI Key:
GVHSMUYEAWMYLM-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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