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
   -5.0437    0.6205   -0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0895   -0.1080   -0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7893   -0.2557   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711   -0.3667    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3377   -0.5193    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040   -1.2697    1.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2355    0.8228    1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    1.1578    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4348    0.1663    0.3235 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -1.1663    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -1.2784   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5785    0.5822   -0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8658    1.1421    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0061    0.6933   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2593   -0.6428   -1.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410   -0.6491    2.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374    1.6081    0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517    0.8336    2.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8158    2.1307    0.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197    1.2036   -0.8867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5634   -1.6742   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1972   -1.7659    1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2801   -2.3719   -0.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3313   -1.0389   -1.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046    1.3058    0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    1.1040   -1.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2374   -0.2640   -0.6944 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