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
   -4.3137    1.0641    1.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1598    1.0489    2.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.9895    1.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579    0.9614    0.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659    0.9194    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5616    2.2631   -0.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4114    0.3387    0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375   -1.0919    0.4839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4043   -1.5055   -0.8228 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151   -1.1893   -1.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181    0.2752   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4494   -1.5823   -1.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3616    1.0330    0.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2234    1.1062    2.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1089    1.0807    3.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506    2.6799    0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1524    0.3514    1.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3206    0.9870    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593   -1.8003    1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339   -1.2258    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -1.4370   -2.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7102   -1.8215   -0.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100    0.7684   -2.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2148    0.4537   -1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8331   -2.5890   -1.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -0.9521   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959   -1.1257   -2.7200 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