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
    5.0139    1.4701   -0.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898    0.7195    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8636    0.6026   -0.0215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6575    0.5058   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1975    0.4118   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    1.6356   -0.4218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -0.1896    1.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5618   -0.9706    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264   -0.3265   -0.2164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6198   -0.7528   -1.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491   -0.5109   -1.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6484   -0.4091   -0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781    1.5459   -0.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4734    2.0355   -1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    0.1662    0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7594    1.9927    0.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4987    0.6338    1.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5214   -0.8555    1.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159   -1.0054    1.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269   -1.9912    0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7627   -1.8614   -1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753   -0.2587   -2.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030    0.0208   -2.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430   -1.4287   -1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1095   -0.4942   -1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0332    0.5433    0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0049   -1.2292    0.4399 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