
 UNII-8L7H229K4I

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.5990    0.2288    1.9465 C   0  0  0  0  0
    2.2293    0.1687    0.4718 C   0  0  0  0  0
    2.9387    1.2305   -0.3819 C   0  0  0  0  0
    4.4081    1.2096   -0.3144 N   0  0  0  0  0
    5.0197   -0.0406   -0.7852 C   0  0  0  0  0
    4.9227   -0.2462   -2.2975 C   0  0  0  0  0
    5.5281    0.9330   -3.0547 C   0  0  0  0  0
    4.9411    2.2690   -2.5662 C   0  0  0  0  0
    5.0019    2.3639   -1.0213 C   0  0  0  0  0
    5.6140    3.4530   -3.2425 C   0  0  0  0  0
    6.9848    3.7165   -3.0804 C   0  0  0  0  0
    7.5690    4.8041   -3.7269 C   0  0  0  0  0
    6.8154    5.6436   -4.5354 C   0  0  0  0  0
    5.4550    5.3963   -4.7027 C   0  0  0  0  0
    4.8581    4.3077   -4.0608 C   0  0  0  0  0
    8.8982    5.0798   -3.5910 O   0  0  0  0  0
    1.9994   -0.4910    2.5122 H   0  0  0  0  0
    2.4094    1.2251    2.3582 H   0  0  0  0  0
    3.6529   -0.0170    2.1054 H   0  0  0  0  0
    1.1466    0.3237    0.3788 H   0  0  0  0  0
    2.4249   -0.8364    0.0833 H   0  0  0  0  0
    2.5882    2.2098   -0.0296 H   0  0  0  0  0
    2.5820    1.1311   -1.4134 H   0  0  0  0  0
    4.6017   -0.9079   -0.2639 H   0  0  0  0  0
    6.0804   -0.0299   -0.4993 H   0  0  0  0  0
    5.4513   -1.1652   -2.5758 H   0  0  0  0  0
    3.8772   -0.3834   -2.5973 H   0  0  0  0  0
    6.6166    0.9138   -2.9150 H   0  0  0  0  0
    5.3507    0.8120   -4.1297 H   0  0  0  0  0
    3.8831    2.2789   -2.8561 H   0  0  0  0  0
    6.0463    2.4475   -0.6927 H   0  0  0  0  0
    4.5264    3.2946   -0.6842 H   0  0  0  0  0
    7.5903    3.0691   -2.4538 H   0  0  0  0  0
    7.2853    6.4863   -5.0335 H   0  0  0  0  0
    4.8595    6.0494   -5.3345 H   0  0  0  0  0
    3.7944    4.1332   -4.2095 H   0  0  0  0  0
    9.2932    4.4164   -3.0024 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  8 30  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 16 37  1  0  0  0
M  END

>  <Chemical Name>
UNII-8L7H229K4I

>  <PubChem CID>
202478

>  <Formula>
C14H21NO

>  <Molecular Weight>
219.328000

>  <IUPAC Name>
3-[(3R)-1-propylpiperidin-3-yl]phenol

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN1CCCC(C1)C2=CC(=CC=C2)O

>  <Isomeric SMILES>
CCCN1CCC[C@@H](C1)C2=CC(=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m0/s1

>  <InChI Key>
HTSNFXAICLXZMA-ZDUSSCGKSA-N

