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
    5.2142   -0.8763    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -0.7174    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8442   -0.4599    0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -0.2610    0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143   -0.0380   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5433    0.0271   -1.7629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1680    1.2593    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6084    1.3474   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3239    0.2711    0.3071 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8768   -1.0262   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4149   -1.2377   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7650    0.3485    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0783   -0.8048   -0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1869   -1.0676    0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3079   -0.7947    2.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992   -0.8520   -2.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0698    1.4361    1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4143    2.0768   -0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0494    2.3021    0.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7110    1.3655   -1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3493   -1.7630    0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -1.2623   -1.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0795   -1.6134    0.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -2.0492   -0.7688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3446   -0.2496    0.7398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0037    0.0084   -0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0652    1.4186    0.2117 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