70677415
  -OEChem-05072406042D

 35 35  0     1  0  0  0  0  0999 V2000
    3.2326    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    8.1200    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6200    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    5.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    4.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    3.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    4.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    5.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    3.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    2.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    7.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 26  1  0  0  0  0
  5 13  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  1  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  6  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70677415

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
215

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIQAEAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHwAQAAAADSjhkg4+hJLIFACgADBnRACCiCAxIiAI2KA+bJgMJuLEsZuOOCjm0BHI6AeQUAMMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-fluoro-2-[[(3R,6R)-6-methyl-3-piperidyl]methoxy]pyridine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
5-fluoro-2-[[(3R,6R)-6-methyl-3-piperidinyl]methoxy]pyridine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-fluoro-2-[[(3<I>R</I>,6<I>R</I>)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
5-fluoro-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-fluoranyl-2-[[(3R,6R)-6-methylpiperidin-3-yl]methoxy]pyridine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-fluoro-2-[[(3R,6R)-6-methyl-3-piperidyl]methoxy]pyridine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H17FN2O.ClH/c1-9-2-3-10(6-14-9)8-16-12-5-4-11(13)7-15-12;/h4-5,7,9-10,14H,2-3,6,8H2,1H3;1H/t9-,10-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
NTYVLGRDXMGVRM-DHTOPLTISA-N

> <PUBCHEM_EXACT_MASS>
260.1091691

> <PUBCHEM_MOLECULAR_FORMULA>
C12H18ClFN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
260.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC(CN1)COC2=NC=C(C=C2)F.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@H](CN1)COC2=NC=C(C=C2)F.Cl

> <PUBCHEM_CACTVS_TPSA>
34.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.1091691

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
14  15  8
15  17  8
16  17  8
5  13  8
5  16  8
6  11  5
9  12  6

$$$$