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
    2.2217    4.3770    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1684    3.6038   -0.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229    2.4650   -0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796    1.2885   -0.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0554    0.1552   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0974   -0.2623   -2.3462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7196   -0.9919   -0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2226   -2.1610   -0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3062   -1.9439    0.6525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.5625    0.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4551    0.2169   -0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974   -2.6526    1.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7383    4.3226    1.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9141    5.2481    0.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601    3.9190   -1.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336    0.4461   -2.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5187   -1.2575   -1.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -0.6604    0.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522   -3.0475    0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6332   -2.2818   -1.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7456   -0.5240    1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1142   -0.1372    1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1229   -0.2467   -1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7645    1.2596   -0.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9936   -3.4253    1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3785   -2.0095    2.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543   -3.1892    2.0099 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