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
    4.4433    1.2956   -1.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4103    0.8793   -2.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568    0.4101   -1.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334   -0.0045   -1.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537   -0.4736   -0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3011   -1.7633   -0.9867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925   -0.5708    0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8193   -0.9623    1.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722    0.0152    1.6147 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876    0.9889    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092    0.4411   -0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1996   -0.5149    1.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037    1.2336   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3567    1.6839   -2.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366    0.9477   -3.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -2.3427   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6997    0.4418    1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -1.2505    1.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1856   -1.9263    1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398   -1.1416    2.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682    1.5141    0.3658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8341    1.7283    0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896   -0.0599   -1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260    1.3423   -1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2478   -1.6289    1.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270   -0.1536    0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6935   -0.1292    2.5379 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