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
    4.8573    0.5952   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316    0.5176   -1.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5545    0.0520   -1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5718   -0.3560   -0.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3674   -0.8672    0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6524   -2.0649    0.7615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7438   -1.1324   -0.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6624    0.0570   -0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    0.0144    0.3487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176   -0.0686    1.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0748    0.1792    1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3401    1.1286    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7508    0.9430   -1.6576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    0.3060   -0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7289    0.8088   -2.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2300   -2.8294    0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2572   -2.0775   -0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2622   -1.2000   -1.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    0.9792   -1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4025   -0.0071   -1.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5660   -1.1067    1.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8217    0.6102    2.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5135    0.1086    2.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0399    1.2013    0.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078    1.9618    0.9529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7543    1.4302   -0.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1567    0.8165    1.1408 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