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
    4.9329    1.8040   -0.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635    0.6459    0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9576    0.4408    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7632    0.2472   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3464    0.0430   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809    0.5749   -1.5010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -1.4201   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4900   -1.5628   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2231   -0.3614   -0.4493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317    0.7127    0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4444    0.7541    0.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6301   -0.5554   -0.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3646    2.6161   -0.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9927    1.9105   -0.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9390   -0.1786    0.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1315   -0.0852   -2.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317   -1.9520    0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   -1.8939   -1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553   -1.9539    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8288   -2.3428   -0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5194    0.6669    1.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1739    1.6618   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688    0.2035    1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1246    1.8072    0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2422    0.1489    0.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9364   -0.3573   -1.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9654   -1.5740   -0.2670 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