1-Benzoylpiperazine - CAS 13754-38-6

Catalog:	BB008619
Product Name:	1-Benzoylpiperazine
CAS:	13754-38-6
Synonyms:	phenyl(piperazin-1-yl)methanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	phenyl(piperazin-1-yl)methanone
Description:	1-Benzoylpiperazine (CAS# 13754-38-6) is a useful research chemical.
Molecular Weight:	190.24
Molecular Formula:	C11H14N2O
Canonical SMILES:	C1CN(CCN1)C(=O)C2=CC=CC=C2
InChI:	InChI=1S/C11H14N2O/c14-11(10-4-2-1-3-5-10)13-8-6-12-7-9-13/h1-5,12H,6-9H2
InChI Key:	VUNXBQRNMNVUMV-UHFFFAOYSA-N
Boiling Point:	341.3 °C at 760 mmHg
Melting Point:	61-64 °C
Purity:	> 98 %
Density:	1.115 g/cm³
Appearance:	Yellow crystalline powder
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00810192
LogP:	0.99870

Publication Number	Title	Priority Date
CN-112300094-A	Substituted benzoyl piperazine compounds and application thereof in preparation of anti-chikungunya virus medicines	20201124
CN-112430223-A	Substituted benzoyl piperazine compounds and application thereof	20201124
CN-111423454-A	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424
CN-111423454-B	Piperazine compound and application thereof in preparing chemokine receptor CCR2 antagonist	20200424
CN-111138358-A	USP8 inhibitor and preparation method and application thereof	20191217

PMID	Publication Date	Title	Journal
28594172	20170713	Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis	Journal of medicinal chemistry
22374748	20120601	Differentiation of methylbenzylpiperazines (MBPs) and benzoylpiperazine (BNZP) using GC-MS and GC-IRD	Drug testing and analysis
21233197	20110401	Pharmacology of GPR55 in yeast and identification of GSK494581A as a mixed-activity glycine transporter subtype 1 inhibitor and GPR55 agonist	The Journal of pharmacology and experimental therapeutics
19534463	20090723	Heterobiaryl human immunodeficiency virus entry inhibitors	Journal of medicinal chemistry
18752953	20080915	Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine
[55276-43-2]
1-Methanesulfonylpiperazine
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.110613074
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.110613074
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1