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
    4.9332    0.4228   -0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0175    0.5528   -1.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.1234   -1.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357   -0.2355   -1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680   -0.6653   -0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1894   -1.8120   -1.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746   -0.8120    0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342   -0.0950    1.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3151   -0.3006    0.5609 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772   -0.0208   -0.8308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797    0.4623   -1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3765    0.5089    1.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9569    0.7355   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7123    0.0004    0.3976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    0.9822   -2.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376   -1.9379   -2.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0735   -1.8984    0.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9608   -0.4513    1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3183   -0.5011    2.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423    0.9965    1.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853    0.7484   -1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048   -0.9881   -1.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297    0.6794   -2.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    1.3776   -0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1787    1.5874    0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5265    0.2434    2.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3439    0.2970    0.6188 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