162749
  -OEChem-05102415182D

 33 35  0     0  0  0  0  0  0999 V2000
    2.0000    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202   -1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105   -1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7479   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  2  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
162749

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
265

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIAAEAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAEgB8AAAHgIAAAAADQbBmCQyBsMABECIAqBSAAACCAAkJQAIiAEOCsgMJjKFtxqGOSCkwBGIqYe8yPCOACAAIAAIAAAAQABAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(5-chlorobenzofuran-2-yl)-1-methyl-piperidine

> <PUBCHEM_IUPAC_CAS_NAME>
4-(5-chloro-2-benzofuranyl)-1-methylpiperidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(5-chloro-1-benzofuran-2-yl)-1-methylpiperidine

> <PUBCHEM_IUPAC_NAME>
4-(5-chloro-1-benzofuran-2-yl)-1-methylpiperidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(5-chloranyl-1-benzofuran-2-yl)-1-methyl-piperidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(5-chlorobenzofuran-2-yl)-1-methyl-piperidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16ClNO/c1-16-6-4-10(5-7-16)14-9-11-8-12(15)2-3-13(11)17-14/h2-3,8-10H,4-7H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FTKTZRKAVSDSRA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
249.0920418

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16ClNO

> <PUBCHEM_MOLECULAR_WEIGHT>
249.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC(CC1)C2=CC3=C(O2)C=CC(=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC(CC1)C2=CC3=C(O2)C=CC(=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
16.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
249.0920418

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  12  8
12  13  8
12  14  8
13  15  8
14  16  8
15  17  8
16  17  8
2  13  8
2  9  8
9  11  8

$$$$