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Azaperone

CAT: 1299-RM-A261600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A261600-01Size:10 mg
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CAS Number
1649-18-9
Synonyms
1- (4-fluorophenyl) -4- (4- (pyridin-2-yl) piperazin-1-yl) butan-1-one
Molecular Formula
C19H22FN3O
Molecular Weight
327.4
Target Alternative Name
Azaperone
Product Name Synonym
1- (4-fluorophenyl) -4- (4- (pyridin-2-yl) piperazin-1-yl) butan-1-one

Chemical Information

Azaperone

Azaperone is an N-arylpiperazine that is 2-(piperazin-1-yl)pyridine in which the amino hydrogen is replaced by a 3-(4-fluobenzoyl)propyl group. Used mainly as a tranquiliser for pigs and elephants. It has a role as an antipsychotic agent and a dopaminergic antagonist. It is an aminopyridine, a N-alkylpiperazine, a N-arylpiperazine, a tertiary amino compound, an aromatic ketone and a member of monofluorobenzenes.

CAS Number1649-18-9
PubChem CID15443
IUPAC Name1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
Molecular FormulaC19H22FN3O
Molecular Weight327.4
XLogP3.3
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity390
SMILES
C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3
InChI
InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2
InChIKey
XTKDAFGWCDAMPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azaperone
CAS: 1649-18-9
CID: 15443
Formula: C19H22FN3O
MW: 327.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight327.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass327.17469050
Monoisotopic Mass327.17469050
Topological Polar Surface Area36.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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