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
    2.3669    3.9616   -1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    3.0566   -0.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2246    1.8848   -0.4268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684    0.7359   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -0.4560    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978   -1.5471    0.2947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1572   -0.2765    1.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859   -1.2488    1.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -0.8101    0.4754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4430   -0.4990   -0.8015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237   -0.8801   -1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0448   -1.8026    0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308    3.7990   -2.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895    4.8671   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452    3.3475   -0.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523   -1.8394   -0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2301    0.7461    1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9151   -0.5017    2.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -2.2928    1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908   -1.2061    2.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0591   -1.0778   -1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6287    0.5701   -1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171   -1.9830   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191   -0.3257   -1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0135   -1.3336    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186   -2.3224    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8623   -2.5660   -0.3696 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