Common name
(2S)-1-ethyl-2-methylpiperidine
IUPAC name
(2S)-1-ethyl-2-methylpiperidine
SMILES
CCN1[C@@H](C)CCCC1
Common name
(2S)-1-ethyl-2-methylpiperidine
IUPAC name
(2S)-1-ethyl-2-methylpiperidine
SMILES
CCN1[C@@H](C)CCCC1
INCHI
InChI=1S/C8H17N/c1-3-9-7-5-4-6-8(9)2/h8H,3-7H2,1-2H3/t8-/m0/s1
FORMULA
C8H17N
Common name
(2S)-1-ethyl-2-methylpiperidine
IUPAC name
(2S)-1-ethyl-2-methylpiperidine
Molecular weight
127.227
clogP
1.732
clogS
-1.512
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
1
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yp8_ligand_1_2.mol2 | 4yp8 | 0.9 | -6.19 | C1CC[NH+](CC1)C(C)C | 9 |
| 1uom_ligand_2_0.mol2 | 1uom | 0.9 | -6.12 | CC[NH+]1CCCCC1 | 8 |
| 2r6w_ligand_1_5.mol2 | 2r6w | 0.9 | -6.10 | C[N@H+]1CC[C@@H](CC1)C | 8 |
| 5dhg_ligand_2_7.mol2 | 5dhg | 0.9 | -6.10 | C1CC[NH+](CC1)CC | 8 |
| 4mx9_ligand_1_0.mol2 | 4mx9 | 0.9 | -6.09 | C1C[N@H+](CC[C@@H]1C)C | 8 |
| 3bl7_ligand_2_4.mol2 | 3bl7 | 0.9 | -6.06 | C[N@@H+]1CC[C@@H](CC1)C | 8 |
| 4uin_ligand_frag_1.mol2 | 4uin | 0.9 | -6.04 | C1[N@H+]2CC[C@H](CC2)C1 | 8 |
| 3bl9_ligand_2_6.mol2 | 3bl9 | 0.9 | -6.03 | C1[N@@H+](CC[C@H](C1)C)C | 8 |
| 2cvd_ligand_2_22.mol2 | 2cvd | 0.9 | -6.02 | C1CC[NH+](CC1)CC | 8 |
| 3gc7_ligand_1_3.mol2 | 3gc7 | 0.9 | -5.96 | C(C)(C)[NH+]1CCCCC1 | 9 |
147 ,
15
