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
    4.8196    0.8791   -1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3717    0.0716   -0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9765   -0.0189    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8170   -0.0775    0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019   -0.1432    0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1796   -0.6059    1.9087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165   -1.0615   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6965   -1.3171    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2868   -0.1138    0.7867 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7315    1.0841    0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2473    1.2210    0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7002   -0.1375    0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1010    1.4800   -1.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8554    0.9742   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242   -0.5261    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -1.4924    1.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3718   -0.6541   -1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053   -2.0358   -0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3631   -1.8301   -0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -2.0160    1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9470    1.1598   -0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2339    1.9471    0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1933    1.8129   -0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818    1.7441    1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0659   -1.1766    0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2202    0.4405    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8799    0.3921   -0.4841 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