IUPAC name
3-(2-methyl-1-piperidinyl)propyl 3,4-dichlorobenzoate
SMILES
CC1CCCCN1CCCOC(=O)c1ccc(c(c1)Cl)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
piperalin
IUPAC name
3-(2-methyl-1-piperidinyl)propyl 3,4-dichlorobenzoate
SMILES
CC1CCCCN1CCCOC(=O)c1ccc(c(c1)Cl)Cl
INCHI
InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3
FORMULA
C16H21Cl2NO2
Common name
piperalin
IUPAC name
3-(2-methyl-1-piperidinyl)propyl 3,4-dichlorobenzoate
Molecular weight
330.249
clogP
4.384
clogS
-4.933
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF01477 | propyl formate |
|
O(C=O)CCC | 0.0021 |
| FDBF02396 | (2S)-2-methylpiperidine |
|
CC1NCCCC1 | 0.0014 |
| FDBF07435 | (2S)-1,2-dimethylpiperidine |
|
C[C@@H]1N(CCCC1)C | 0.0003 |
| FDBF07436 | methyl 3,4-dichlorobenzoate |
|
COC(=O)c1cc(c(cc1)Cl)Cl | 0.0003 |
| FDBF07437 | (2S)-1-ethyl-2-methylpiperidine |
|
CCN1[C@@H](C)CCCC1 | 0.0003 |
7 ,
1
