
 CHEMBL228849

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.1101    1.5773   -0.6388 C   0  0  0  0  0
    0.0323    1.4383    0.4425 C   0  0  0  0  0
   -1.0311    0.4540    0.1409 N   0  0  0  0  0
   -0.4430   -0.8397   -0.2957 C   0  0  0  0  0
    0.6088   -0.7092   -1.4017 C   0  0  0  0  0
    1.7462    0.2207   -0.9594 C   0  0  0  0  0
    2.8905    0.3637   -1.9637 C   0  0  0  0  0
    4.2038    0.6177   -1.5150 C   0  0  0  0  0
    5.2732    0.7342   -2.4061 C   0  0  0  0  0
    5.0539    0.6114   -3.7724 C   0  0  0  0  0
    3.7644    0.3823   -4.2440 C   0  0  0  0  0
    2.6930    0.2659   -3.3506 C   0  0  0  0  0
    2.2998   -0.3618    0.2360 O   0  0  0  0  0
   -1.8737    0.2071    1.3775 C   0  0  0  0  0
   -2.3139    1.4864    2.1051 C   0  0  0  0  0
   -1.8812    1.7151    3.4252 C   0  0  0  0  0
   -2.2663    2.8626    4.1183 C   0  0  0  0  0
   -3.0884    3.8015    3.5028 C   0  0  0  0  0
   -3.5231    3.5951    2.1944 C   0  0  0  0  0
   -3.1380    2.4462    1.4978 C   0  0  0  0  0
   -3.0844   -0.7097    1.1423 C   0  0  0  0  0
   -3.8167   -0.6322   -0.0610 C   0  0  0  0  0
   -4.9285   -1.4467   -0.2888 C   0  0  0  0  0
   -5.3460   -2.3445    0.6881 C   0  0  0  0  0
   -4.6521   -2.4261    1.8931 C   0  0  0  0  0
   -3.5327   -1.6171    2.1226 C   0  0  0  0  0
   -2.7454   -1.8060    3.6518 Cl  0  0  0  0  0
    0.6731    2.0213   -1.5434 H   0  0  0  0  0
    1.8686    2.2831   -0.2761 H   0  0  0  0  0
   -0.4128    2.4332    0.5591 H   0  0  0  0  0
    0.5245    1.1928    1.3928 H   0  0  0  0  0
    0.0034   -1.3710    0.5547 H   0  0  0  0  0
   -1.2336   -1.4889   -0.6882 H   0  0  0  0  0
    1.0004   -1.7094   -1.6267 H   0  0  0  0  0
    0.1172   -0.3401   -2.3103 H   0  0  0  0  0
    4.4195    0.7091   -0.4534 H   0  0  0  0  0
    6.2770    0.9117   -2.0278 H   0  0  0  0  0
    5.8846    0.6921   -4.4676 H   0  0  0  0  0
    3.5895    0.2886   -5.3126 H   0  0  0  0  0
    1.7044    0.0908   -3.7662 H   0  0  0  0  0
    2.6340    0.3608    0.7915 H   0  0  0  0  0
   -1.1987   -0.3203    2.0640 H   0  0  0  0  0
   -1.2402    0.9925    3.9266 H   0  0  0  0  0
   -1.9277    3.0198    5.1390 H   0  0  0  0  0
   -3.3918    4.6937    4.0430 H   0  0  0  0  0
   -4.1644    4.3298    1.7142 H   0  0  0  0  0
   -3.4794    2.3060    0.4751 H   0  0  0  0  0
   -3.5093    0.0649   -0.8390 H   0  0  0  0  0
   -5.4683   -1.3786   -1.2300 H   0  0  0  0  0
   -6.2116   -2.9787    0.5157 H   0  0  0  0  0
   -4.9886   -3.1243    2.6561 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 13  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
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 14 21  1  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
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 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 46  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL228849

>  <PubChem CID>
9951673

>  <Formula>
C24H24ClNO

>  <Molecular Weight>
377.912000

>  <IUPAC Name>
1-[(2-chlorophenyl)-phenylmethyl]-4-phenylpiperidin-4-ol

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4Cl

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C24H24ClNO/c25-22-14-8-7-13-21(22)23(19-9-3-1-4-10-19)26-17-15-24(27,16-18-26)20-11-5-2-6-12-20/h1-14,23,27H,15-18H2

>  <InChI Key>
AYGQBTFSCJJCQP-UHFFFAOYSA-N

