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
    4.7771    1.2203    0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    1.5834    0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4501    0.7431    0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176    0.0291   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3857   -0.8561   -0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8913   -1.8881   -1.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2444   -1.3995    0.8494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458   -1.2593    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0588    0.1536    0.6607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3351    0.8635   -0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871   -0.0659   -1.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4836    0.3278    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137    1.8722    0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010    0.3081   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122    2.5193    1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -1.4345   -1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0609   -2.4379    1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1108   -0.7821    1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3102   -1.7360    1.5081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0078   -1.7514   -0.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5858    1.5123    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9803    1.5771   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    0.5406   -1.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2408   -0.7001   -1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8181   -0.1425   -0.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0134   -0.1924    1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7274    1.3950    0.5199 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