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
    3.1365   -1.0680    3.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8717   -1.6411    2.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844   -1.0165    1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5855   -0.4882    0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8457    0.1757   -0.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8060    0.4178   -1.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    1.4912   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1716    1.5248   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    0.7290   -1.1401 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5335   -0.6449   -0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1329   -0.8062   -1.4107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3516    0.9165   -0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554   -1.5574    4.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830   -0.0302    3.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023   -2.6557    2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2196   -0.4432   -2.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5432    2.3265   -1.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8067    1.7944    0.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3847    1.0820    0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5096    2.5750   -0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6595   -0.9411    0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1912   -1.2990   -1.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -1.8673   -1.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722   -0.7777   -2.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0304    0.5653   -1.5644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232    0.3536    0.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5001    1.9857   -0.5095 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