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
    4.5786    1.7528    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3129    0.4769    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466    0.0462   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7797   -0.3161   -0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.7250   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -2.0614   -0.7979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2328   -0.7177    0.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7354   -0.7721    0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3245    0.1747    0.1139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5808    0.7825   -0.9075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3459    0.1009   -1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7292    0.0412   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.4724   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5868    2.1078    0.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1321   -0.2258    0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   -2.5199   -0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370    0.1964    1.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1247   -1.5701    1.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9923   -1.8003    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220   -0.7675    1.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097    1.8233   -0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2647    0.9785   -1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033   -0.5201   -2.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3549    0.8720   -1.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2819    0.5308    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0722   -0.9890   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0045    0.6287   -1.0345 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