
 138030-84-9

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    0.4770    0.6618    1.7572 O   0  0  0  0  0
    0.6702    0.6615    3.1666 C   0  0  0  0  0
   -0.6657    0.8904    3.8260 C   0  0  0  0  0
   -1.6999   -0.0459    3.6755 C   0  0  0  0  0
   -2.9372    0.1559    4.2898 C   0  0  0  0  0
   -3.1551    1.2969    5.0593 C   0  0  0  0  0
   -2.1382    2.2377    5.2115 C   0  0  0  0  0
   -0.8999    2.0370    4.5974 C   0  0  0  0  0
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   -5.6397   -1.8956   -2.1854 C   0  0  0  0  0
   -4.9291   -1.1263   -3.1058 C   0  0  0  0  0
   -4.0259   -0.1601   -2.6604 C   0  0  0  0  0
    1.0262    1.8638   -2.0804 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 23  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
138030-84-9

>  <PubChem CID>
10063111

>  <Formula>
C20H25NO

>  <Molecular Weight>
295.426000

>  <IUPAC Name>
1-benzyl-4-(phenylmethoxymethyl)piperidine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1COCC2=CC=CC=C2)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1COCC2=CC=CC=C2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H25NO/c1-3-7-18(8-4-1)15-21-13-11-20(12-14-21)17-22-16-19-9-5-2-6-10-19/h1-10,20H,11-17H2

>  <InChI Key>
CHUMPFKYVVLYMQ-UHFFFAOYSA-N

