Common name
1-(2-methylpropyl)piperidine
IUPAC name
1-(2-methylpropyl)piperidine
SMILES
C(N1CCCCC1)C(C)C
Common name
1-(2-methylpropyl)piperidine
IUPAC name
1-(2-methylpropyl)piperidine
SMILES
C(N1CCCCC1)C(C)C
INCHI
InChI=1S/C9H19N/c1-9(2)8-10-6-4-3-5-7-10/h9H,3-8H2,1-2H3
FORMULA
C9H19N
Common name
1-(2-methylpropyl)piperidine
IUPAC name
1-(2-methylpropyl)piperidine
Molecular weight
141.254
clogP
2.166
clogS
-1.806
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total Polar
Surface Area
3.24
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03250 | fenpropidin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4djh_ligand_3_16.mol2 | 4djh | 1 | -7.55 | C(C(C)C)C[N@H+]1C[C@@H]([C@H](CC1)C)C | 13 |
| 4djh_ligand_2_12.mol2 | 4djh | 1 | -6.73 | CC[N@H+]1C[C@@H]([C@H](CC1)C)C | 10 |
| 3i6m_ligand_3_9.mol2 | 3i6m | 1 | -6.59 | C(C)C[NH+]1CCCCC1 | 9 |
| 4djh_ligand_1_4.mol2 | 4djh | 1 | -6.45 | C[N@H+]1C[C@@H]([C@H](CC1)C)C | 9 |
| 4djh_ligand_frag_5.mol2 | 4djh | 1 | -6.40 | [NH2+]1C[C@@H]([C@H](CC1)C)C | 8 |
| 2rcw_ligand_2_5.mol2 | 2rcw | 1 | -6.23 | C(C)C[NH+]1CCCCC1 | 9 |
| 4gfd_ligand_3_34.mol2 | 4gfd | 1 | -6.20 | C1CCC[NH+](C1)CCC(C)(C)C | 12 |
| 2igy_ligand_3_266.mol2 | 2igy | 1 | -6.19 | C(C)(C)CC[NH+]1CCCCC1 | 11 |
113 ,
12
