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
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
3.3597 3.4444 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.1438 -1.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2925 1.4503 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0965 0.6815 -0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2834 0.1805 -0.3926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1173 0.5062 -0.8526 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0360 0.3331 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2796 -0.1167 1.6152 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -1.1803 0.7915 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5288 -2.0117 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 -1.3970 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8879 -1.8655 1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1112 4.1039 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4223 3.9600 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2247 1.5689 -2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4375 1.1932 -0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8869 -0.1607 1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0828 1.4850 1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2223 -0.4800 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0658 0.6698 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0377 -1.9961 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8944 -3.0347 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5824 -1.5322 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1068 -1.8067 -0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8881 -2.9025 0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7772 -1.3605 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0901 -1.8760 2.2938 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