
 CHEMBL346163

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.2585    0.4863    0.3438 C   0  0  0  0  0
    2.6148   -0.2566    0.4536 C   0  0  0  0  0
    2.4588   -1.7359    0.0083 C   0  0  0  0  0
    2.1786   -1.8780   -1.4867 C   0  0  0  0  0
    3.1968   -1.1179   -2.3317 C   0  0  0  0  0
    3.2682    0.3004   -1.9474 N   0  0  0  0  0
    3.6338    0.4210   -0.5207 C   0  0  0  0  0
    4.2270    0.9959   -2.8211 C   0  0  0  0  0
    4.2105    2.4784   -2.5866 C   0  0  0  0  0
    5.3204    3.1505   -1.8139 C   0  0  0  0  0
    5.2071    3.3617   -3.2963 C   0  0  0  0  0
    3.0620   -0.2106    1.9352 C   0  0  0  0  0
    2.2775   -0.8315    2.9304 C   0  0  0  0  0
    2.6553   -0.7877    4.2727 C   0  0  0  0  0
    3.8129   -0.1354    4.6658 C   0  0  0  0  0
    4.6014    0.4877    3.7055 C   0  0  0  0  0
    4.2288    0.4537    2.3568 C   0  0  0  0  0
    1.8999   -1.3781    5.2429 O   0  0  0  0  0
    0.9030    0.5587   -0.6892 H   0  0  0  0  0
    1.3404    1.5093    0.7309 H   0  0  0  0  0
    0.4694   -0.0167    0.9144 H   0  0  0  0  0
    1.6543   -2.2377    0.5595 H   0  0  0  0  0
    3.3810   -2.2859    0.2434 H   0  0  0  0  0
    2.2012   -2.9395   -1.7594 H   0  0  0  0  0
    1.1669   -1.5217   -1.7136 H   0  0  0  0  0
    4.1806   -1.5969   -2.2371 H   0  0  0  0  0
    2.8951   -1.2037   -3.3828 H   0  0  0  0  0
    4.6352   -0.0071   -0.3724 H   0  0  0  0  0
    3.6905    1.4824   -0.2516 H   0  0  0  0  0
    3.9368    0.8371   -3.8675 H   0  0  0  0  0
    5.2395    0.5880   -2.7024 H   0  0  0  0  0
    3.2024    2.8675   -2.4912 H   0  0  0  0  0
    6.1433    2.5455   -1.4502 H   0  0  0  0  0
    5.0528    3.9717   -1.1586 H   0  0  0  0  0
    4.8651    4.3300   -3.6448 H   0  0  0  0  0
    5.9501    2.8987   -3.9353 H   0  0  0  0  0
    1.3617   -1.3459    2.6539 H   0  0  0  0  0
    4.0960   -0.1079    5.7136 H   0  0  0  0  0
    5.5082    1.0073    4.0044 H   0  0  0  0  0
    4.8791    0.9685    1.6552 H   0  0  0  0  0
    1.1121   -1.7652    4.8279 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL346163

>  <PubChem CID>
13615888

>  <Formula>
C16H23NO

>  <Molecular Weight>
245.366000

>  <IUPAC Name>
3-[1-(cyclopropylmethyl)-3-methylpiperidin-3-yl]phenol

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CCCN(C1)CC2CC2)C3=CC(=CC=C3)O

>  <Isomeric SMILES>
CC1(CCCN(C1)CC2CC2)C3=CC(=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3

>  <InChI Key>
BFJGDYASFRFDRK-UHFFFAOYSA-N

