71219
  -OEChem-05122402332D

 48 51  0     0  0  0  0  0  0999 V2000
    5.5321    3.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    1.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    2.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    2.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    1.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.1554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.9771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 38  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 12 39  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 16 41  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 24  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71219

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
370

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHAAQAAAADQjBHgQwwPLIEACgAyRiRACCgCAhAiAImKA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-phenyl-4-[2-(4-piperidyl)ethyl]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
2-phenyl-4-[2-(4-piperidinyl)ethyl]quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-phenyl-4-(2-piperidin-4-ylethyl)quinoline

> <PUBCHEM_IUPAC_NAME>
2-phenyl-4-(2-piperidin-4-ylethyl)quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-phenyl-4-(2-piperidin-4-ylethyl)quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-phenyl-4-[2-(4-piperidyl)ethyl]quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H24N2/c1-2-6-18(7-3-1)22-16-19(11-10-17-12-14-23-15-13-17)20-8-4-5-9-21(20)24-22/h1-9,16-17,23H,10-15H2

> <PUBCHEM_IUPAC_INCHIKEY>
AMEWZCMTSIONOX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
316.193948774

> <PUBCHEM_MOLECULAR_FORMULA>
C22H24N2

> <PUBCHEM_MOLECULAR_WEIGHT>
316.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNCCC1CCC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
24.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
316.193948774

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  13  8
11  15  8
12  14  8
13  16  8
15  18  8
16  19  8
17  20  8
17  21  8
18  19  8
2  13  8
2  14  8
20  22  8
21  23  8
22  24  8
23  24  8

$$$$