11778080
  -OEChem-04262422292D

 47 49  0     0  0  0  0  0  0999 V2000
    7.8191    1.4330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    0.0430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6851   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6851   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   -0.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    1.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736   -0.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    1.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3191    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8191    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3191    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3191    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3191    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2957   -0.9067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8972   -0.2164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7410   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8972   -2.3816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2957   -1.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4206   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2176   -2.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8033   -1.1367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883   -0.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257    1.0278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8134    1.6384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5536   -0.2578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0660   -0.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    1.9068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2911    1.7683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.5150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6291    0.0301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991    1.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0091    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6291    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8560    1.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6291    2.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  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  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  2  0  0  0  0
 16 42  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11778080

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
292

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABAAAAHgAAAAAADIzBmAYyBoMABACAAiBCAACCCAAgIAAIiAAODIgMJiKEsRuEMChkwBGIqAewwPAOgAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_CAS_NAME>
1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_NAME>
1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
BQQSZHHKGPOXLN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.6

> <PUBCHEM_EXACT_MASS>
273.209264485

> <PUBCHEM_MOLECULAR_FORMULA>
C18H27NO

> <PUBCHEM_MOLECULAR_WEIGHT>
273.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3

> <PUBCHEM_CACTVS_TPSA>
12.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.209264485

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
11  15  8
11  16  8
15  17  8
16  18  8
17  19  8
18  19  8

$$$$