1-Benzyl-2-oxopiperazine - CAS 59702-21-5

Catalog:	BB030464
Product Name:	1-Benzyl-2-oxopiperazine
CAS:	59702-21-5
Synonyms:	1-(phenylmethyl)-2-piperazinone; 1-benzylpiperazin-2-one

Technical Data

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Computed Properties

IUPAC Name:	1-benzylpiperazin-2-one
Description:	1-Benzyl-2-oxopiperazine (CAS# 59702-21-5) is a useful research chemical.
Molecular Weight:	190.24
Molecular Formula:	C11H14N2O
Canonical SMILES:	C1CN(C(=O)CN1)CC2=CC=CC=C2
InChI:	InChI=1S/C11H14N2O/c14-11-8-12-6-7-13(11)9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChI Key:	BNPCRHWMJSUKDM-UHFFFAOYSA-N
Boiling Point:	380.4 °C at 760 mmHg
Density:	1.13 g/cm³
LogP:	0.88510

Publication Number	Title	Priority Date
WO-2020063659-A1	Substituted [1, 2, 4] triazolo [1, 5-a] pyridine compounds as ret kinase inhibitors	20180926
WO-2020023355-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
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
EP-3601267-A1	2-methyl-quinazolines	20170321
WO-2018172250-A1	2-methyl-quinazolines	20170321

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Related Functional Groups

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[402832-69-3]
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[1900-04-5]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	200
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:	2
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6