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
    5.0201   -0.0533    0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195   -1.0435    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8218   -0.8403    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6521   -0.6634   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2411   -0.4328   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161   -0.6941   -1.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224   -1.2774    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9232   -0.5908    0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4050    0.1945   -0.3619 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051    1.2158   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1517    1.0255   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6259    0.8677    0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499    0.9538    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489   -0.2324    1.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6048   -2.0455    0.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669   -0.7851   -2.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967   -1.3792    1.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -2.3169    0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6931   -1.3927    0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9222    0.0225    1.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495    2.2432   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197    1.1629   -1.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306    1.1101    0.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6186    1.6974   -0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483    1.5143   -0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3458    0.1661    0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2741    1.5738    0.9025 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