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
4.8789 0.6970 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1819 -0.4232 -0.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8121 -0.4557 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6614 -0.4956 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2535 -0.5441 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2784 -1.2203 1.8366 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2303 0.8560 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3072 1.1925 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3824 0.2394 0.1397 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9933 -1.0109 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5334 -1.2936 -0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6190 0.7538 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9063 0.7148 -1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4214 1.6371 -0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6289 -1.3722 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1738 -1.3406 2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7544 0.9252 1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 1.6237 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 2.2071 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9154 0.9865 -1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5958 -1.8102 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3507 -1.0194 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0417 -1.1818 -1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4141 -2.3930 -0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7747 1.7583 0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6826 0.8688 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4487 0.1003 0.0384 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