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
    4.6319    1.1210    1.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403    1.6490    0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5427    0.9312   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252    0.3448   -0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2890   -0.3882   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379   -1.3182   -1.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948    0.6095   -1.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1189    0.2533   -1.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3961   -0.4622    0.1711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6010   -1.5889    0.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1478   -1.1744    0.5029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9263    0.2635    1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5342    1.6305    1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4394    0.1428    1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305    2.6263   -0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -2.1053   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4962    0.7864   -2.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983    1.5912   -0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4462   -0.3106   -1.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7171    1.1903   -1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251   -2.3431   -0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8909   -2.0394    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1064   -0.6631    1.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4406   -2.1376    0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642    0.8123    1.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6418    1.0184    0.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4219   -0.4393    1.9575 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