54603068
  -OEChem-05052410552D

 60 59  0     0  0  0  0  0  0999 V2000
    0.5369    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.6569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.6569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7953    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    5.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    6.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6613    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9326    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5957    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7987    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6647    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4617    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5307    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3967    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1938    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5210    4.5743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1225    5.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757    5.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6772    4.5743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5210    6.7395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1225    6.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757    6.0493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6772    6.7395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9713    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1982    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3513    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    7.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 60  1  0  0  0  0
  2 22  2  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
  3 58  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  4 59  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 21  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 22  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54603068

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
181

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAACADBgAQCCALAAgAIAACQCAAAAAAAAAAAAIEIAAAAQBIAAAAQQAAEEACAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
piperazine;tetradecanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
piperazine;tetradecanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
piperazine;tetradecanoic acid

> <PUBCHEM_IUPAC_NAME>
piperazine;tetradecanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
piperazine;tetradecanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
myristic acid;piperazine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H28O2.C4H10N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-6-4-3-5-1/h2-13H2,1H3,(H,15,16);5-6H,1-4H2

> <PUBCHEM_IUPAC_INCHIKEY>
JDHLNEKZJKNDHL-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
314.293328459

> <PUBCHEM_MOLECULAR_FORMULA>
C18H38N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
314.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCC(=O)O.C1CNCCN1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCC(=O)O.C1CNCCN1

> <PUBCHEM_CACTVS_TPSA>
61.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.293328459

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$