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
    3.5987    1.7258    1.8520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375    2.1111    1.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    0.9489    1.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -0.0167    1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2781   -1.0667    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1845   -1.9905    1.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7011   -0.5865    0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1658   -0.6543   -0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2398   -0.2052   -1.7572 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535   -0.7855   -1.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -1.7942   -0.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2508    1.2234   -1.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8961    0.7252    1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3410    2.5051    2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793    3.0521    1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400   -1.4420    2.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3950   -1.1978    1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705    0.4526    1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1329   -0.0610   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -1.7301   -1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8328   -0.0021   -1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.3063   -2.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2281   -1.9628   -0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3945   -2.7077   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9096    1.4821   -2.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5917    1.7026   -1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987    1.5806   -1.7863 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