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
3.4961 -0.9348 -3.7348 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4446 -1.0160 -2.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2680 -0.6938 -1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2342 -0.4118 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0196 -0.1046 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1185 -0.3409 -1.0681 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 1.3642 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8245 1.5595 1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7587 0.4727 1.3710 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1738 -0.7693 1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0199 -1.0582 0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0482 0.7707 1.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3861 -1.1815 -4.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6029 -0.6107 -4.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -1.3342 -1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8073 -0.6914 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 1.6428 0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3566 1.9713 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2180 1.6165 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3719 2.5178 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9417 -1.5598 1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 -0.6264 2.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 -2.0626 0.4442 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9448 -1.0534 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7900 0.2738 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2490 0.3808 2.8638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2265 1.8793 1.7920 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