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
    3.8717    0.8221    2.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5166    1.1621    1.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4506    0.4552    0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5406   -0.1518    0.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332   -0.8866   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506   -2.2039   -0.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7492   -0.8955    0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -0.7330   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1004    0.5101   -0.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761    0.8740   -1.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035   -0.2529   -1.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1909    0.5452   -1.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6729    1.3254    3.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    0.0158    3.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558    1.9765    1.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548   -2.1863   -1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6494   -0.1570    1.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -1.8913    1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576   -0.6888    0.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251   -1.6238   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0862    1.2656   -2.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4084    1.6938   -0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0649    0.2174   -2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1737   -0.9874   -2.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    0.0514   -2.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1229    0.1131   -1.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4365    1.6305   -1.9652 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