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
    3.7017   -2.5025   -1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580   -1.4574   -1.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8393   -1.1309   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9440   -0.9081   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0210   -0.6694    0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3055   -1.0395    2.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1279    0.9774    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147    1.4085   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6740    1.4872   -0.3968 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770    0.1184   -0.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672   -0.8647    0.4296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1217    2.2399    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5620   -2.6421   -2.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8120   -3.2458   -0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441   -0.8147   -2.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1694   -0.5439    2.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1658    1.0251    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5772    1.1191    1.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0494    0.5488   -1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    2.3295   -0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.2246   -1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2614    0.1576   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0130   -0.8529    1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6342   -1.9192    0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487    2.9490    0.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6029    1.6120    1.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431    2.8433    1.2302 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