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
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
3.6796 -3.1295 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6432 -1.8077 -0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4205 -1.0864 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3352 -0.4322 -0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0865 0.2986 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1775 0.7353 -2.2398 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0000 -0.6577 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5723 -0.3535 0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0310 1.0426 0.7397 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8522 1.8882 0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2149 1.5440 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9552 1.3093 1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6638 -3.6389 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7697 -3.6862 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6192 -1.3108 -0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4450 0.3173 -2.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7050 -1.7309 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8496 -0.6085 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7721 -0.4703 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4434 -0.9502 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1058 2.9654 0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4604 1.7114 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 2.4092 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2142 1.4584 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7260 0.6037 2.6502 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8265 2.3598 2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9923 1.2194 1.4419 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