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
4.1274 2.5341 0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5063 1.9221 1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1577 1.4300 1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0530 1.0482 1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3173 0.5491 0.7661 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2733 1.3006 1.4736 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5397 0.7359 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6578 -0.1448 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2999 -1.5150 -1.0303 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4607 -1.8483 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4643 -0.8694 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 -2.3180 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1255 2.9153 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6560 2.6666 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9964 1.8011 2.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7708 2.0012 1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3738 0.4463 -1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7552 1.8181 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6144 0.0676 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8244 0.0397 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5979 -1.9999 -0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 -2.8451 0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 -1.1491 1.8709 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3851 -1.0507 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2692 -3.3270 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8040 -2.3308 -2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2887 -1.8780 -0.4914 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