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
4.8573 0.5952 -1.1668 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7316 0.5176 -1.8346 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5545 0.0520 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5718 -0.3560 -0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3674 -0.8672 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6524 -2.0649 0.7615 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 -1.1324 -0.9102 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6624 0.0570 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4161 0.0144 0.3487 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5176 -0.0686 1.4602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0748 0.1792 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3401 1.1286 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7508 0.9430 -1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8677 0.3060 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7289 0.8088 -2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2300 -2.8294 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2572 -2.0775 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2622 -1.2000 -1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0827 0.9792 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4025 -0.0071 -1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5660 -1.1067 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8217 0.6102 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5135 0.1086 2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0399 1.2013 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8078 1.9618 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7543 1.4302 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1567 0.8165 1.1408 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