8082
 OpenBabel05082101102D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.8660   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
8082

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
30.9

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
1

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHAAQAAAACADBAAQAAALAAAAAAAAAAAAAAAAAAAAAAIAIAAAAAAIAgAAEAAAAEACAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
piperidine

>  <PUBCHEM_IUPAC_CAS_NAME>
piperidine

>  <PUBCHEM_IUPAC_NAME_MARKUP>
piperidine

>  <PUBCHEM_IUPAC_NAME>
piperidine

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
piperidine

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
piperidine

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

>  <PUBCHEM_IUPAC_INCHIKEY>
NQRYJNQNLNOLGT-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
0.8

>  <PUBCHEM_EXACT_MASS>
85.089149

>  <PUBCHEM_MOLECULAR_FORMULA>
C5H11N

>  <PUBCHEM_MOLECULAR_WEIGHT>
85.15

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCNCC1

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCNCC1

>  <PUBCHEM_CACTVS_TPSA>
12

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
85.089149

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
