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
    4.8789    0.6970   -0.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1819   -0.4232   -0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121   -0.4557   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6614   -0.4956    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535   -0.5441    0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784   -1.2203    1.8366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2303    0.8560    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    1.1925   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824    0.2394    0.1397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9933   -1.0109   -0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5334   -1.2936   -0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6190    0.7538   -0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9063    0.7148   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    1.6371   -0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289   -1.3722   -0.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1738   -1.3406    2.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7544    0.9252    1.8624 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5368    1.6237    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    2.2071   -0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9154    0.9865   -1.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958   -1.8102    0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3507   -1.0194   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417   -1.1818   -1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4141   -2.3930   -0.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7747    1.7583    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6826    0.8688   -1.4372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4487    0.1003    0.0384 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