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
    5.1141    0.2269    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4934   -0.8052   -0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643   -0.6797    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5028   -0.5213    0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378   -0.4020    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -1.5675    0.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3837   -0.1250   -1.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7377   -0.6446   -0.8469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618   -0.1629    0.3862 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5904    1.0350    0.8341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1710    0.7647    1.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208    0.3750    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2056    0.3762    0.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225    0.9764    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862   -1.5672   -0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -2.1789    1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2671   -0.6807   -1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3400    0.9407   -1.2141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4351   -0.3040   -1.7159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7194   -1.7761   -0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6622    1.6725   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1662    1.4350    1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2516    0.3828    2.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4577    1.6306    1.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4083    0.0501    0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0567    0.0600   -0.8777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6732    1.4892    0.0356 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