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
    4.2350    1.5769    0.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891    0.4513    0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373   -0.0115   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6171   -0.3867   -0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2587   -0.8550   -0.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937   -2.1234   -1.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4764    0.0708   -1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750    0.7173   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -0.0842   -0.0932 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -1.2675    0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451   -0.9974    0.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574    0.7222    1.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951    2.1728    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290    1.9348    1.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -0.1312   -0.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1151   -2.1943   -1.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2277    0.8918   -1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7710   -0.4224   -2.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    1.6462   -0.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3223    1.0738   -1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3878   -1.5374    1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862   -2.1251   -0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2972   -0.0465    1.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0032   -1.8715    1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4538    1.6474    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6122    0.1015    1.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0249    1.0473    1.5646 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