IUPAC name
1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]piperidine
SMILES
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
fenpropidin
IUPAC name
1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]piperidine
SMILES
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1
INCHI
InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
FORMULA
C19H31N
Common name
fenpropidin
IUPAC name
1-[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropyl]piperidine
Molecular weight
273.456
clogP
5.104
clogS
-4.971
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
3.24
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00193 | propylbenzene |
|
C(c1ccccc1)CC | 0.0186 |
| FDBF00663 | 1-methylpiperidine |
|
CN1CCCCC1 | 0.0172 |
| FDBF00666 | 1-propylpiperidine |
|
C(C)CN1CCCCC1 | 0.0041 |
| FDBF00670 | piperidine |
|
N1CCCCC1 | 0.0199 |
| FDBF07106 | 1-(2-methylpropyl)piperidine |
|
C(N1CCCCC1)C(C)C | 0.0003 |
9 ,
1
