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
    3.4961   -0.9348   -3.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446   -1.0160   -2.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -0.6938   -1.6709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -0.4118   -1.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196   -0.1046   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185   -0.3409   -1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0628    1.3642    0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245    1.5595    1.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7587    0.4727    1.3710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1738   -0.7693    1.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199   -1.0582    0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0482    0.7707    1.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861   -1.1815   -4.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6029   -0.6107   -4.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.3342   -1.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8073   -0.6914   -1.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282    1.6428    0.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566    1.9713   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2180    1.6165    2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3719    2.5178    1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9417   -1.5598    1.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.6264    2.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945   -2.0626    0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9448   -1.0534    1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7900    0.2738    1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2490    0.3808    2.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2265    1.8793    1.7920 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