
 CHEMBL1771064

 57 59  0  0  0  0  0  0  0  0999 V2000
    2.3887   -0.6148   -0.7774 C   0  0  0  0  0
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    5.7604   -0.8115    0.1095 H   0  0  0  0  0
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    3.8055   -0.5054   -3.1143 H   0  0  0  0  0
    4.1624   -2.0638   -2.3377 H   0  0  0  0  0
    5.4065   -0.7994   -2.4586 H   0  0  0  0  0
    4.9352    2.8395   -2.2820 H   0  0  0  0  0
    6.3115    3.0111   -1.1953 H   0  0  0  0  0
    6.0522    5.0291   -2.6333 H   0  0  0  0  0
    4.3794    5.1819   -2.1592 H   0  0  0  0  0
    5.6143    6.8092   -0.9222 H   0  0  0  0  0
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    3.6914    5.8133    0.0871 H   0  0  0  0  0
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    7.3218    4.5371    0.2560 H   0  0  0  0  0
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    9.1678    7.3808   -2.3149 H   0  0  0  0  0
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    7.9404    8.5513    1.5537 H   0  0  0  0  0
    6.6081    8.2913    0.4166 H   0  0  0  0  0
    8.5617    6.1962    1.4767 H   0  0  0  0  0
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    6.8895   10.3313   -0.2677 H   0  0  0  0  0
    7.4214   12.5988   -1.0000 H   0  0  0  0  0
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   11.3324   11.3185   -2.2206 H   0  0  0  0  0
   10.8160    9.0255   -1.4704 H   0  0  0  0  0
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  2  5  1  0  0  0
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  3 29  1  0  0  0
  3 30  1  0  0  0
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  4 32  1  0  0  0
  4 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1771064

>  <PubChem CID>
54581957

>  <Formula>
C21H32N2O2

>  <Molecular Weight>
344.499000

>  <IUPAC Name>
tert-butyl 4-(1-phenylpiperidin-4-yl)piperidine-1-carboxylate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)23-15-11-18(12-16-23)17-9-13-22(14-10-17)19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3

>  <InChI Key>
FJRWMVVJEPYPMD-UHFFFAOYSA-N

