1-Benzyl-2-oxopiperazine Hydrochloride - CAS 78551-58-3

Catalog:	BB036187
Product Name:	1-Benzyl-2-oxopiperazine Hydrochloride
CAS:	78551-58-3
Synonyms:	1-(phenylmethyl)-2-piperazinone;hydrochloride; 1-benzylpiperazin-2-one;hydrochloride

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzylpiperazin-2-one;hydrochloride
Description:	1-Benzyl-2-oxopiperazine Hydrochloride (CAS# 78551-58-3) is a useful research chemical.
Molecular Weight:	226.70
Molecular Formula:	C11H15ClN2O
Canonical SMILES:	C1CN(C(=O)CN1)CC2=CC=CC=C2.Cl
InChI:	InChI=1S/C11H14N2O.ClH/c14-11-8-12-6-7-13(11)9-10-4-2-1-3-5-10;/h1-5,12H,6-9H2;1H
InChI Key:	IDUUIDSBIFYYIO-UHFFFAOYSA-N
Boiling Point:	406.1 °C at 760 mmHg
LogP:	1.68710

Publication Number	Title	Priority Date
CA-3105352-A1	(s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases	20180629
EP-3814327-A1	(s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases	20180629
US-2021277014-A1	(s)-3-(2-(4-(benzyl)-3-oxopiperazin-1-yl)acetamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid derivatives and related compounds as caspase inhibitors for treating cardiovascular diseases	20180629
CA-2528119-A1	Cis-2,4,5-triaryl-imidazolines	20030617
AU-7448700-A	Cyclic amine compounds as ccr5 antagonists	19991001

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0872908
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	226.0872908
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0