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
    4.4517    0.8890    1.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2757    0.2717    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8027   -0.2316   -0.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744   -0.6036   -0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3506   -1.0150   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0723   -1.8229   -1.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6230   -0.9148    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9694   -1.2581   -0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217   -0.1142   -0.7296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4610    0.5296   -1.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910    0.4924   -1.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9918    0.8083    0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5908    1.0441    2.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3569    1.2356    1.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0492    0.0626   -0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820   -1.4126   -2.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332   -1.3171    1.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098    0.2473    0.8038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7995   -2.1441   -0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6555   -1.5421    0.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    0.1481   -2.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8353    1.6185   -1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025    0.8183   -1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398    1.0955   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5451    0.2098    1.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2952    1.5268    0.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8243    1.3785   -0.2689 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