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
    4.9750    0.7410   -0.8235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0710    1.6400   -0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6986    1.1870   -0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5616    0.8279   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1646    0.4095    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246    1.4407   -0.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271   -0.7484   -0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5617   -1.1934   -0.7463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270   -0.4098    0.2658 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5924   -0.3488    1.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1687    0.0927    1.4354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6197   -0.7442    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9944    1.0604   -0.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7435   -0.3258   -0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3352    2.6775   -0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1546    2.2278   -0.5615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749   -0.4750   -1.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5268   -1.5847   -0.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0959   -1.0498   -1.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6285   -2.2490   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1754    0.3952    2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6992   -1.3478    2.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192    0.9926    2.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -0.7455    1.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7222   -1.6954    0.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0235   -0.8657   -0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1423    0.0912    0.8577 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