Common name
1-propylpiperidine
IUPAC name
1-propylpiperidine
SMILES
C(C)CN1CCCCC1
Common name
1-propylpiperidine
IUPAC name
1-propylpiperidine
SMILES
C(C)CN1CCCCC1
INCHI
InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
FORMULA
C8H17N
Common name
1-propylpiperidine
IUPAC name
1-propylpiperidine
Molecular weight
127.227
clogP
2.016
clogS
-1.760
Frequency
0.0041
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01784 | Pipamperone |
|
Antipsychotic Agents; Nervous System; Psycholeptics; Butyrophenone Derivatives; | Used in the treatment of schizophrenia. |
| FDBD03250 | fenpropidin |
|
Fungicide | Fungicide |
12 ,
2
| 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
