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
    4.7689   -1.9315   -0.4058 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   -1.5387   -1.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6329   -0.9563   -0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.4275   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3447    0.1694    0.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530    0.8819    1.2680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6412   -0.9462    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145   -0.3668    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3808    0.7962    0.2189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6776    1.2858   -0.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2244    1.0406   -0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503    1.7838    1.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6932   -2.3772   -0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151   -1.8099    0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383   -1.6835   -2.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    1.6916    1.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -1.6660    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8208   -1.4537   -0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148   -0.1218    1.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6989   -1.1732    0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2004    0.9354   -1.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8204    2.4060   -0.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0222    0.5467   -1.9387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018    1.9804   -0.9713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635    2.3353    0.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4039    1.2424    1.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1532    2.4046    1.4981 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