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
    3.3958    3.6910   -1.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9705    3.0769   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9834    2.0584   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1406    1.1583   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    0.1168   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1124   -0.1214   -1.7347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341    0.4758    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000   -0.4989    1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5550   -1.8711    0.9045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921   -2.1995    0.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966   -1.1564    0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7767   -2.2149    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9934    3.4211   -2.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    4.4597   -1.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3764    3.3485    0.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -0.4471   -2.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264    0.6887   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    1.4628    0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896   -0.2685    1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0984   -0.3310    2.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -2.2848   -0.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0617   -3.1780    0.4519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906   -1.5039   -0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186   -1.0060    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1655   -1.3118   -0.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5554   -2.6109    0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479   -2.9540   -0.5885 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