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
    4.1184    2.4693   -1.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1622    1.2027   -0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222    0.4998   -0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.0762   -0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628   -0.7624   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -2.1393   -0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4222   -0.2244   -1.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.7022   -0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1490   -0.6680    0.4465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2421    0.1148    1.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1218   -0.5336    1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5340   -0.3796    0.7181 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0159    3.0384   -1.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    2.9577   -1.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1169    0.7671   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0642   -2.5910   -0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    0.8888   -1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1567   -0.6340   -2.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8682   -1.7756   -1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539   -0.1774   -1.5870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2394    1.1842    1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5546   -0.0288    2.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385   -1.5113    1.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8640    0.0567    1.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9614   -1.2039    1.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0618   -0.3346   -0.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001    0.5631    1.2429 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