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
    4.9463   -0.6023    0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1080    0.1775    0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7015    0.2201    0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2570    0.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0946    0.2809    1.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1344    0.2108    2.4435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5451   -0.9419    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458   -0.7721    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5032    0.2594   -0.3004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    1.1561   -0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5645    1.5320    0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9998   -0.3677   -1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0032   -0.6415    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5665   -1.2407    1.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4925    0.8161   -0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -0.7172    2.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351   -1.8298    1.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.1032   -0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2165   -0.4570    1.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5882   -1.7164    0.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8182    2.1003   -1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937    0.6845   -1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1889    1.9918    1.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1926    2.2491    0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294   -1.0645   -1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3888    0.4154   -2.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018   -0.8967   -2.0740 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