4 - (6 -氨基吡啶- 3 -基)哌啶- 1 -甲酸叔丁酯结构式

中文名称:4 - (6 -氨基吡啶- 3 -基)哌啶- 1 -甲酸叔丁酯
英文名称:Tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
CAS No.:1198408-35-3
分子式:C15H23N3O2 分子量:277.3620
4 - (6 -氨基吡啶- 3 -基)哌啶- 1 -甲酸叔丁酯 数据
Mol:

    2.9297   10.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893   11.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   11.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   13.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700   14.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400   13.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END                                
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4 - (6 -氨基吡啶- 3 -基)哌啶- 1 -甲酸叔丁酯 Smile 编码:
NC1N=CC(C2CCN(C(OC(C)(C)C)=O)CC2)=CC=1
4 - (6 -氨基吡啶- 3 -基)哌啶- 1 -甲酸叔丁酯 InChi 编码:
1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17)
4 - (6 -氨基吡啶- 3 -基)哌啶- 1 -甲酸叔丁酯 InChiKey 编码:
UGJYTOMOCDGLRS-UHFFFAOYSA-N