73604009
  -OEChem-05072412402D

 63 65  0     1  0  0  0  0  0999 V2000
    2.5369   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -2.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -4.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -4.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -3.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250   -1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4450   -0.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 62  1  0  0  0  0
  2 22  1  0  0  0  0
  2 63  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 28  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 29  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  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 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 20  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 21  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 19  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 22  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 22  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 23  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 23  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
73604009

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
353

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAAAAAAHgAACAAADTzhgAYCAAMAAgAAAAAAAAAAAAAAAAAAAAAIAAACEAIAgAAEQAAEAACQAAGQ4OQOAAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[2-[4-(cyclohexylmethyl)-1-piperidyl]-1-hydroxy-propyl]cyclohexanol

> <PUBCHEM_IUPAC_CAS_NAME>
4-[2-[4-(cyclohexylmethyl)-1-piperidinyl]-1-hydroxypropyl]-1-cyclohexanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[2-[4-(cyclohexylmethyl)piperidin-1-yl]-1-hydroxypropyl]cyclohexan-1-ol

> <PUBCHEM_IUPAC_NAME>
4-[2-[4-(cyclohexylmethyl)piperidin-1-yl]-1-hydroxypropyl]cyclohexan-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[2-[4-(cyclohexylmethyl)piperidin-1-yl]-1-oxidanyl-propyl]cyclohexan-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[2-[4-(cyclohexylmethyl)piperidino]-1-hydroxy-propyl]cyclohexanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H39NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h16-21,23-24H,2-15H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
BJTPPEAOLAFHEH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
337.298079487

> <PUBCHEM_MOLECULAR_FORMULA>
C21H39NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
337.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(C1CCC(CC1)O)O)N2CCC(CC2)CC3CCCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C(C1CCC(CC1)O)O)N2CCC(CC2)CC3CCCCC3

> <PUBCHEM_CACTVS_TPSA>
43.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.298079487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  1  3
7  24  3

$$$$