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
    5.2086   -0.0192   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3761   -0.1043    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9577   -0.0855    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614   -0.0665   -0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3280   -0.0327   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0212   -0.3282   -1.5975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -1.1170    0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813   -1.1084    0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3526    0.1173    0.7279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7299    1.3010    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2542    1.2771    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7475    0.1419    0.2594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.0720   -1.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700   -0.0349   -0.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7824   -0.1918    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112   -1.3167   -1.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1873   -0.9373    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -2.1078    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2179   -1.9353    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8721   -1.2653   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1883    1.6240   -0.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049    2.1334    0.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    1.5758    1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0585    2.0407   -0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7798   -0.1558   -0.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3581   -0.6271    0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1453    1.1505    0.3467 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