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
3.8717 0.8221 2.7215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5166 1.1621 1.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4506 0.4552 0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5406 -0.1518 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4332 -0.8866 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8506 -2.2039 -0.6019 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7492 -0.8955 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0507 -0.7330 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1004 0.5101 -0.8575 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8761 0.8740 -1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1035 -0.2529 -1.6461 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1909 0.5452 -1.7779 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6729 1.3254 3.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 0.0158 3.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0558 1.9765 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7548 -2.1863 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6494 -0.1570 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7794 -1.8913 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8576 -0.6888 0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2251 -1.6238 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0862 1.2656 -2.5141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4084 1.6938 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0649 0.2174 -2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1737 -0.9874 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9734 0.0514 -2.7528 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1229 0.1131 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4365 1.6305 -1.9652 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