Monomers

4-Piperidinol, 4-(3-buten-1-ynyl)-1-methyl-

Identifiers

IUPAC name
4-but-3-en-1-ynyl-1-methylpiperidin-4-ol
InchI
InChI=1S/C10H15NO/c1-3-4-5-10(12)6-8-11(2)9-7-10/h3,12H,1,6-9H2,2H3
InchI Key
SIUPJEMQKZIRCO-UHFFFAOYSA-N
SMILES
C=CC#CC1(O)CCN(CC1)C
Canonical SMILES
CN1CCC(CC1)(C#CC=C)O
Isomeric SMILES
CN1CCC(CC1)(C#CC=C)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H15NO
Heavy Atom Count
12
Molecular Weight
165.236
Exact Molecular Weight
165.1154
Valence Electrons
66
Radical Electrons
0
tPSA
23.47
MolLogP
0.6325
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.5272    1.9643    3.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1535    0.7584    3.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7642    0.4883    1.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352    0.2815    0.7335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9929    0.0281   -0.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0410    0.4073   -1.5179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.9855   -0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3317    0.3864   -1.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591   -0.9418   -1.2337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8296   -1.4626   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6045   -1.4095   -0.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074   -1.2922   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8298    2.4606    4.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443    2.6538    2.6094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1613   -0.0269    3.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1953    1.3669   -1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5789    1.2595    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1346    1.9078   -1.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986    0.3809   -2.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    1.0727   -1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8190   -0.8098    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   -2.4849    0.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5077   -1.6991   -1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022   -2.0283   -0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6968   -0.5045   -0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3832   -1.4714   -2.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1478   -2.2713   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 11  5  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
 10 21  1  0
 10 22  1  0
 11 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
 12 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers