
IUPAC name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILES
OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
Compound class
Antipsychotic Agents; Antiemetics; Dopamine Antagonists; Anti-Dyskinesia Agents; Butyrophenones; Antidyskinetics; Nervous System; Psycholeptics; Butyrophenone Derivatives; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
For the management of psychotic disorders (eg. schizophrenia) and delirium, as well as to control tics and vocal utterances of Tourette's syndrome (Gilles de la Tourette's syndrome). Also used for the treatment of severe behavioural problems in children with disrubtive behaviour disorder or ADHD (attention-deficit hyperactivity disorder). Haloperidol has been used in the prevention and control of severe nausea and vomiting.
Common name
Haloperidol
IUPAC name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILES
OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
INCHI
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
FORMULA
C21H23ClFNO2

Common name
Haloperidol
IUPAC name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Molecular weight
375.864
clogP
5.243
clogS
-5.841
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
40.54
Number of Rings
3
Rotatable Bond
6
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00007 | propane |
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C(C)C | 0.2412 |
FDBF00016 | chlorobenzene |
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c1ccc(cc1)Cl | 0.0718 |
FDBF00098 | acetaldehyde |
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CC=O | 0.0182 |
FDBF00378 | fluorobenzene |
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Fc1ccccc1 | 0.0237 |
FDBF00983 | 4-fluorobenzaldehyde |
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O=Cc1ccc(cc1)F | 0.0017 |
FDBF00985 | 1-(4-fluorophenyl)ethanone |
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CC(=O)c1ccc(cc1)F | 0.0014 |
FDBF00988 | butanal |
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C(CC)C=O | 0.0021 |
FDBF00989 | 1-(4-fluorophenyl)propan-1-one |
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C(C)C(=O)c1ccc(cc1)F | 0.0014 |
FDBF01120 | 4-(4-chlorophenyl)-1-methyl-piperidin-4-ol |
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CN1CCC(CC1)(O)c2ccc(cc2)Cl | 0.0007 |
FDBF01123 | piperidin-4-ol |
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N1CCC(CC1)O | 0.0014 |