Common name
1-butylpiperidine
IUPAC name
1-butylpiperidine
SMILES
C(C)CCN1CCCCC1
Common name
1-butylpiperidine
IUPAC name
1-butylpiperidine
SMILES
C(C)CCN1CCCCC1
INCHI
InChI=1S/C9H19N/c1-2-3-7-10-8-5-4-6-9-10/h2-9H2,1H3
FORMULA
C9H19N
Common name
1-butylpiperidine
IUPAC name
1-butylpiperidine
Molecular weight
141.254
clogP
2.336
clogS
-2.180
Frequency
0.0014
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00184 | Bupivacaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the production of local or regional anesthesia or analgesia for surgery, for oral surgery procedures, for diagnostic and therapeutic procedures, and for obstetrical procedures. |
| FDBD00856 | Levobupivacaine |
|
Anesthetics, Local; Anesthetics; Nervous System; Amides; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | For the production of local or regional anesthesia for surgery and obstetrics, and for post-operative pain management. |
| FDBD00950 | Pimozide |
|
Antipsychotic Agents; Dopamine Antagonists; Anti-Dyskinesia Agents; Nervous System; Psycholeptics; Diphenylbutylpiperidine Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Used for the suppression of motor and phonic tics in patients with Tourette's Disorder who have failed to respond satisfactorily to standard treatment. |
| FDBD01537 | Lomitapide |
|
Hypolipidemic Agents; Lipid Modifying Agents, Plain; Lipid Modifying Agents; Cardiovascular System; CYP3A4 Inhibitors; | Used in homozygous familial hypercholesterolemia (HoFH) patients to reduce low-density lipoprotein cholesterol (LDL-C), total cholesterol (TC), apolipoprotein B (apo B), and non-high-density lipoprotein cholesterol (non-HDL-C). |
4 ,
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
