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
    5.0838   -0.0983   -0.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187    0.7171   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    0.4156   -0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6300    0.1682   -0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -0.1486   -0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0411   -1.0963   -1.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    1.0915   -0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7353    1.2785    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3969    0.0876    0.5333 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218   -0.9973    0.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1362   -0.8498    0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6448   -0.1759   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1633    0.1138   -0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7185   -0.9760   -1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6128    1.5929    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4379   -1.9427   -1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9470    1.0635   -1.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716    1.9772   -0.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4545    1.9828   -0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3709    1.7761    1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0120   -1.9408    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640   -1.1203    2.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646   -0.3093    1.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876   -1.8752    0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5203    0.0160    0.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6811   -1.2457   -0.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7727    0.4953   -0.9474 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