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
    4.7663   -0.1421   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9336    0.0965    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450   -0.3099    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -0.6602    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0028   -1.1047   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0568   -2.4666   -0.2308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098   -0.8032    1.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1945    0.6284    1.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545    0.6174    0.3155 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1879   -0.2135   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7053   -0.3568   -1.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7328    1.9644    0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7906    0.1530   -0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370   -0.6367   -1.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2701    0.5900    1.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8364   -2.8396   -0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -0.9746    2.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121   -1.4451    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276    1.0227    2.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4293    1.2632    0.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375   -1.2522   -0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893    0.2189   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962   -0.9397   -2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2216    0.6162   -1.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3919    2.3285    0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8065    2.5900    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1594    2.0559   -0.9891 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