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
   -4.9041   -1.4449   -0.4202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3461   -0.4905    0.3028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9509   -0.1895    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7588    0.0624    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3357    0.3877   -0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541    1.6869   -0.5820 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979    0.2386    1.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7460    0.6727    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    0.1634    0.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634   -0.8514   -0.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299   -0.5648   -1.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.8315   -0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3081   -2.0105   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9485   -1.7008   -0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9812    0.0444    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732    2.2533    0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839   -0.8382    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2940    0.8460    2.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429    1.7935    1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2162    0.2995    2.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -1.7993   -0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3382   -1.0345   -1.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -1.5290   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3305   -0.1373   -2.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9351    1.4971    0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2403    1.4383   -1.3619 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2556    0.0708   -0.7602 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