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
    4.3764    1.1168   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4327    1.1238    0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758    0.2899    0.4043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913   -0.4059    0.2509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1053   -1.2542    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905   -2.5659    0.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5350   -0.9586   -1.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5656    0.1016   -1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0835    0.5020    0.0126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0854   -0.4606    1.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7706   -1.1478    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8491    1.8500    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2771    0.4784   -1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2618    1.7068   -0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897    1.7721    1.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0709   -3.1825    0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2694   -0.6725   -1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900   -1.8863   -1.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522   -0.1920   -1.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    1.0343   -1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4518    0.0250    1.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8716   -1.2210    0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9901   -2.1492    1.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.5890    2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7766    2.4402    0.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7189    1.9266    1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9693    2.3179   -0.0643 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