70519577
  -OEChem-05052411222D

 33 34  0     1  0  0  0  0  0999 V2000
    4.4487    0.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.6488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5827    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -0.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    0.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    0.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    0.2686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    0.9589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3706    2.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721    1.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253    1.7436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268    2.4338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8472    2.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502    2.8262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9253   -1.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   -0.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6947   -2.1488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9347   -2.1488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -2.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  2  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70519577

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
166

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAAAAAAACADBAgQvkBcMEACgABAnZAAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1-imidazol-1-ylpropyl)piperidine

> <PUBCHEM_IUPAC_CAS_NAME>
1-[1-(1-imidazolyl)propyl]piperidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(1-imidazol-1-ylpropyl)piperidine

> <PUBCHEM_IUPAC_NAME>
1-(1-imidazol-1-ylpropyl)piperidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(1-imidazol-1-ylpropyl)piperidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1-imidazol-1-ylpropyl)piperidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H19N3/c1-2-11(14-9-6-12-10-14)13-7-4-3-5-8-13/h6,9-11H,2-5,7-8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YGWSLBWCTDMISJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
193.157897619

> <PUBCHEM_MOLECULAR_FORMULA>
C11H19N3

> <PUBCHEM_MOLECULAR_WEIGHT>
193.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(N1CCCCC1)N2C=CN=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(N1CCCCC1)N2C=CN=C2

> <PUBCHEM_CACTVS_TPSA>
21.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.157897619

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
2  12  8
2  13  8
3  13  8
3  14  8
4  10  3

$$$$