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
4.4433 1.2956 -1.7398 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4103 0.8793 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2568 0.4101 -1.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2334 -0.0045 -1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0537 -0.4736 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3011 -1.7633 -0.9867 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3925 -0.5708 0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8193 -0.9623 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8722 0.0152 1.6147 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5876 0.9889 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1092 0.4411 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1996 -0.5149 1.6115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3037 1.2336 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3567 1.6839 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5366 0.9477 -3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4790 -2.3427 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6997 0.4418 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2348 -1.2505 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1856 -1.9263 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5398 -1.1416 2.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5682 1.5141 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8341 1.7283 0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8896 -0.0599 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7260 1.3423 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2478 -1.6289 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8270 -0.1536 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6935 -0.1292 2.5379 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