3-Phenylpiperazin-2-one - CAS 5368-28-5

Name: 3-Phenylpiperazin-2-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028321
Product Name:	3-Phenylpiperazin-2-one
CAS:	5368-28-5
Synonyms:	3-phenyl-2-piperazinone; 3-phenylpiperazin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-phenylpiperazin-2-one
Description:	3-Phenylpiperazin-2-one (CAS# 5368-28-5) is a useful research chemical.
Molecular Weight:	176.22
Molecular Formula:	C10H12N2O
Canonical SMILES:	C1CNC(=O)C(N1)C2=CC=CC=C2
InChI:	InChI=1S/C10H12N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChI Key:	WKFFHKBGGZHQAX-UHFFFAOYSA-N
Boiling Point:	397.7 °C at 760 mmHg
Density:	1.106 g/cm³
LogP:	1.10470

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2017161119-A1	Small molecules against cereblon to enhance effector t cell function	20160316
CN-107174584-B	Application of piperazine structure-containing compound in preparation of LSD1 inhibitor	20160312
AU-2015369712-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
US-10703746-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
AU-2014237198-A1	Anti-PCSK9 compounds and methods for the treatment and/or prevention of cardiovascular diseases	20130315

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.094963011
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.094963011
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6