1-Benzyl-3-oxopiperazine - CAS 13754-41-1

Catalog:	BB008620
Product Name:	1-Benzyl-3-oxopiperazine
CAS:	13754-41-1
Synonyms:	4-benzylpiperazin-2-one

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Computed Properties

IUPAC Name:	4-benzylpiperazin-2-one
Description:	1-Benzyl-3-oxopiperazine (CAS# 13754-41-1) is a useful research chemical.
Molecular Weight:	190.24
Molecular Formula:	C11H14N2O
Canonical SMILES:	C1CN(CC(=O)N1)CC2=CC=CC=C2
InChI:	InChI=1S/C11H14N2O/c14-11-9-13(7-6-12-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
InChI Key:	SBWVHKNCFZRBRJ-UHFFFAOYSA-N
Boiling Point:	366.6 °C at 760 mmHg
Density:	1.13 g/cm³
Appearance:	White to off-white to yellow crystals
MDL:	MFCD06795962
LogP:	0.88510

Publication Number	Title	Priority Date
US-2021147360-A1	Ssao inhibitors and use thereof	20191029
WO-2021083209-A1	Ssao inhibitors and use thereof	20191029
WO-2020115501-A1	Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19)	20181206
CN-113365696-A	Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19)	20181206
EP-3890829-A1	Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19)	20181206

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Related Functional Groups

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6,6-dimethyl-1-(propan-2-yl)piperazin-2-one

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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:	0.9