
 CHEMBL1770918

 56 58  0  0  0  0  0  0  0  0999 V2000
    5.0488   -1.1232   -0.3168 C   0  0  0  0  0
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    5.2390    3.3787   -1.4208 C   0  0  0  0  0
    5.2863    4.8619   -1.7779 C   0  0  0  0  0
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    7.1790    5.5421   -0.1259 C   0  0  0  0  0
    8.2136    5.7863   -1.2389 C   0  0  0  0  0
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    8.5989    8.0985   -0.4618 N   0  0  0  0  0
    7.6800    7.9157    0.6732 C   0  0  0  0  0
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    9.0006    9.4132   -0.7697 C   0  0  0  0  0
   10.0181    9.6803   -1.6986 C   0  0  0  0  0
   10.4696   10.9099   -2.0632 N   0  0  0  0  0
    9.8979   11.9605   -1.4498 C   0  0  0  0  0
    8.9081   11.8348   -0.4944 C   0  0  0  0  0
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    2.7727   -0.3824   -2.8179 H   0  0  0  0  0
    3.4637   -1.9712   -2.4228 H   0  0  0  0  0
    2.6677   -0.6142    0.9516 H   0  0  0  0  0
    2.2568   -1.8109   -0.2651 H   0  0  0  0  0
    1.7099   -0.1265   -0.4434 H   0  0  0  0  0
    4.8092    2.8271   -2.2638 H   0  0  0  0  0
    6.2505    2.9848   -1.2667 H   0  0  0  0  0
    5.9388    5.0198   -2.6413 H   0  0  0  0  0
    4.2842    5.1696   -2.1069 H   0  0  0  0  0
    5.5661    6.7902   -0.8964 H   0  0  0  0  0
    4.8436    6.0977    1.4065 H   0  0  0  0  0
    3.6726    5.7440    0.1603 H   0  0  0  0  0
    5.5757    3.7143    1.4442 H   0  0  0  0  0
    3.8314    3.8333    1.6440 H   0  0  0  0  0
    7.3022    4.5023    0.1995 H   0  0  0  0  0
    8.0094    5.1689   -2.1184 H   0  0  0  0  0
    9.1977    5.4610   -0.8732 H   0  0  0  0  0
    9.0995    7.3251   -2.3969 H   0  0  0  0  0
    7.3799    7.5905   -2.1182 H   0  0  0  0  0
    8.0519    8.4532    1.5545 H   0  0  0  0  0
    6.6855    8.3091    0.4312 H   0  0  0  0  0
    8.5687    6.1099    1.4222 H   0  0  0  0  0
    6.9046    6.3179    1.9070 H   0  0  0  0  0
   10.5523    8.8707   -2.1864 H   0  0  0  0  0
   10.2706   12.9356   -1.7494 H   0  0  0  0  0
    8.4843   12.7124   -0.0198 H   0  0  0  0  0
    7.6810   10.4798    0.5902 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
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  3 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
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  8 13  1  0  0  0
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  9 35  1  0  0  0
  9 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1770918

>  <PubChem CID>
54580880

>  <Formula>
C20H31N3O2

>  <Molecular Weight>
345.487000

>  <IUPAC Name>
tert-butyl 4-(1-pyridin-3-ylpiperidin-4-yl)piperidine-1-carboxylate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)C3=CN=CC=C3

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)C3=CN=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-13-8-17(9-14-23)16-6-11-22(12-7-16)18-5-4-10-21-15-18/h4-5,10,15-17H,6-9,11-14H2,1-3H3

>  <InChI Key>
CRZGKAWVJIDZPZ-UHFFFAOYSA-N

