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
    5.2142   -0.3006   -0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3119    0.4764    0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227    0.3310    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7541    0.2033   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516    0.0521   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1412   -0.3278   -1.7046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3616    1.3543   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466    1.1878   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573   -0.0376   -0.5202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -1.2194   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345   -0.9732    0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7577   -0.1408   -0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134   -1.0560   -0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2627   -0.2075    0.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    1.2090    1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7811   -1.0553   -1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594    2.0467   -0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280    1.7664    0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3094    2.0191   -0.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938    1.4019    1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627   -1.8164   -1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759   -1.8963    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989   -1.9462    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390   -0.5720    1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0338    0.6254    0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0082   -1.1326    0.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3930    0.0083   -1.0275 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