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
4.9332 0.4228 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0175 0.5528 -1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6740 0.1234 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5357 -0.2355 -1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1680 -0.6653 -0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1894 -1.8120 -1.3789 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0746 -0.8120 0.7839 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1342 -0.0950 1.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3151 -0.3006 0.5609 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1772 -0.0208 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7797 0.4623 -1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3765 0.5089 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9569 0.7355 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7123 0.0004 0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3024 0.9822 -2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4376 -1.9379 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0735 -1.8984 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9608 -0.4513 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3183 -0.5011 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9423 0.9965 1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8853 0.7484 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3048 -0.9881 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6297 0.6794 -2.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5981 1.3776 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1787 1.5874 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5265 0.2434 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3439 0.2970 0.6188 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