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
    3.6796   -3.1295   -0.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -1.8077   -0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205   -1.0864   -0.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3352   -0.4322   -0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865    0.2986   -0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1775    0.7353   -2.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.6577   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723   -0.3535    0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0310    1.0426    0.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8522    1.8882    0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2149    1.5440   -0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    1.3093    1.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638   -3.6389   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7697   -3.6862   -1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192   -1.3108   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4450    0.3173   -2.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7050   -1.7309   -0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8496   -0.6085   -1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7721   -0.4703    1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.9502    1.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1058    2.9654    0.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4604    1.7114    1.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775    2.4092   -0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    1.4584    0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7260    0.6037    2.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8265    2.3598    2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9923    1.2194    1.4419 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