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
    4.8396    0.2719    1.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108   -0.4594    0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7852   -0.5470    0.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775   -0.6068    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1159   -0.6958    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2572   -2.0014   -0.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386    0.2354   -1.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2498    1.3203   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3310    0.8450    0.2503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839   -0.1079    1.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055   -0.2407    1.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4413    0.3414   -0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2739    0.8605    1.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8969    0.3211    1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7932   -1.0220   -0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591   -2.5905   -0.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8550   -0.3498   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105    0.7454   -1.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465    2.0958   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    1.8336   -1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509    0.2981    2.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5049   -1.0735    1.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855    0.7680    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -0.8947    2.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2416   -0.7049   -0.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5902    0.9917   -1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3454    0.3664    0.1376 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