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
    4.8356    1.7798    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    1.7995    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7341    1.0689    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6995    0.4502    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416   -0.3047    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7683   -1.4828    1.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030   -0.6863   -1.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334   -1.0868   -1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1776   -0.9810    0.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9648    0.2320    0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5326    0.5409    1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -1.0500   -0.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6063    1.1940    1.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    2.3224    0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169    2.4015   -0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8825   -2.2369    0.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2983    0.1248   -1.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6223   -1.5757   -1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9140   -0.4447   -1.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -2.1402   -1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4887    1.0590    0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5116    0.1307    1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977    0.4574    2.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622    1.6193    0.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1206   -0.1004   -0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -1.8488    0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7601   -1.2420   -1.3543 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