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
    4.9947   -0.4466    0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1974   -0.7950   -0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721   -0.5312   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5969   -0.2993   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1683   -0.0146   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080    0.1822    1.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056    1.2264   -1.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5851    1.6463   -0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4160    0.4921   -0.5534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9544   -0.6084   -1.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6451   -1.1640   -0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1628    0.2132    0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0435   -0.6369    0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5933    0.0335    1.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6087   -1.2900   -1.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1256   -0.6290    1.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2329    0.9520   -2.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296    2.0529   -0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4433    2.0361    0.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9204    2.4580   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7465   -1.3844   -1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329   -0.2704   -2.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8377   -1.9065   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -1.6942   -1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988   -0.7324    1.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0649    1.0364    1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2520    0.0738    0.4223 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