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
    1.5229   -3.2396   -3.8242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331   -3.3548   -2.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8958   -2.2807   -1.6860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714   -1.2854   -0.9417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136   -0.2611   -0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1212    0.4009   -0.7009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590   -0.7453    1.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821    0.3282    1.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0443    1.6034    1.1017 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.8463    1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    0.8706    0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5425    2.6213    2.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560   -4.1187   -4.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3668   -2.3376   -4.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5168   -4.3165   -2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7704    1.1146   -1.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8507   -1.7267    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155   -0.8284    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507    0.0906    1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1449    0.4538    2.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4820    2.8657    0.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    1.8622    2.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2187    1.3243   -0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419    0.4263    0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7267    3.0130    2.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2984    2.2021    2.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9124    3.4713    1.4207 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