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
    4.4011   -2.1179    0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5780   -2.4401   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -1.5913   -0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4675   -0.8906   -0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947   -0.0408   -0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4558    0.5539   -1.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3262    1.0531    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097    1.3001    1.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9678    1.2635   -0.0835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046   -0.1433   -0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9451   -0.8620   -0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1485    2.0043    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   -1.2634    1.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2711   -2.7285    1.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -3.3205   -0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012    0.8197   -2.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6260    2.0453   -0.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0564    0.8705    1.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1819    0.4163    1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0123    2.2500    1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0184   -0.2705   -1.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819   -0.5614    0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851   -1.7474   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0910   -1.2969   -1.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0064    1.5263   -0.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0348    3.0191   -0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3787    2.1525    1.2550 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