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
    3.5227   -0.4809    2.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0551    0.0416    1.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287   -0.0891    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517   -0.1891    0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035   -0.3123   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0612   -1.8133   -0.5140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6494   -0.1353    0.9537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747   -0.4721    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4648    0.2785   -0.6463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6275   -0.0783   -1.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512    0.1964   -1.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3232    1.6949   -0.2988 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4013   -0.4577    3.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5915   -0.5643    2.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9372    0.1079    1.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8978   -2.0187   -1.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3992    0.8157    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661   -0.9377    1.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1601   -1.5824    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7441   -0.1494    1.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0089    0.3761   -2.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7055   -1.2197   -1.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3939   -0.4303   -2.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1173    1.2619   -1.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600    2.2316   -1.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9019    1.7819    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    2.1444   -0.2980 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