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
    4.6137   -0.5757   -0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8303    0.2396   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4020   -0.2552    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680   -0.6785    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191   -1.0671    0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243   -2.4801    0.5950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8476   -0.8632   -1.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    0.6055   -1.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4493    1.3905   -0.3698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8214    0.6164    0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.2464    1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015    1.7286   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6229   -0.4780   -1.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502   -1.5328   -1.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    1.1248    0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   -2.9487    0.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -1.1002   -0.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223   -1.4666   -1.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8580    0.8523   -2.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174    0.8586   -1.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942    1.3880    1.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7742    0.0785    0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0238    0.3840    1.9500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318   -0.9899    2.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8065    2.8570   -1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7998    1.1354   -1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5512    1.4230   -0.3119 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