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
    3.1521    1.5461    3.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6141    1.2525    1.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6095    0.5134    0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291   -0.1315    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.9031   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3436   -1.8005   -1.3623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3032   -1.3879    0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -0.2333    0.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050   -0.3028   -0.8273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2303    0.3437   -1.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2071    0.2623   -1.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4051   -0.2278   -0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327    1.2018    3.2762 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7826    2.0816    3.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    1.5158    1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9772   -2.0759   -2.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012   -1.6205    1.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686   -2.2454   -0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024    0.6784    0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0003   -0.3616    1.3347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3794   -0.1747   -2.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242    1.4325   -1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5830    1.2430   -1.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897    0.1569   -2.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8024    0.4420    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8342   -1.2567   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158    0.0517   -1.8259 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