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
    4.0071    2.9095   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9319    1.6122   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6404    0.9676    0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351    0.4393    0.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1947   -0.1763    0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0365   -0.1116    2.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1822   -1.5919    0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1397   -2.1339   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187   -1.1618   -0.5173 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5719    0.0710   -1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856    0.7373    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328   -0.9712    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8940    3.4197   -0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0633    3.4820   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7879    0.9990   -0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3044    0.8325    2.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4814   -2.1595    1.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9780   -1.9176   -0.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394   -2.8873   -0.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876   -2.6924    0.7247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573   -0.0580   -1.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4355    0.6625   -1.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509    0.9341    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4413    1.7130   -0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121   -1.6049    0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4541    0.0498    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7100   -1.3632    1.4445 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