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
    4.8919   -0.7371   -0.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371   -0.4161    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9344   -0.0812    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7607    0.2043    0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3610    0.5376    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1475    1.8079    0.9296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909   -0.5181    1.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7948   -0.0020    1.3342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173    0.3490    0.1034 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6530    0.0783   -1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.5782   -1.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7351   -0.2166   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3188   -0.7568   -1.9034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350   -0.9863   -1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8711   -0.3820    1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946    2.3265    0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1104   -0.6739    2.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842   -1.4420    0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330    0.9058    1.9734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3898   -0.7478    1.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7159   -0.9902   -1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516    0.6235   -1.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434    1.6191   -1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755   -0.0653   -1.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1097    0.0646   -1.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4425    0.2482    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7351   -1.3276    0.0420 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