1-(4-Fluoro-2-nitrophenyl)piperazine - CAS 243128-46-3

Catalog:	BB018408
Product Name:	1-(4-Fluoro-2-nitrophenyl)piperazine
CAS:	243128-46-3
Synonyms:	1-(4-fluoro-2-nitrophenyl)piperazine; 1-(4-fluoro-2-nitrophenyl)piperazine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-fluoro-2-nitrophenyl)piperazine
Description:	1-(4-Fluoro-2-nitrophenyl)piperazine (CAS# 243128-46-3) is a useful research chemical.
Molecular Weight:	225.22
Molecular Formula:	C10H12FN3O2
Canonical SMILES:	C1CN(CCN1)C2=C(C=C(C=C2)F)[N+](=O)[O-]
InChI:	InChI=1S/C10H12FN3O2/c11-8-1-2-9(10(7-8)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2
InChI Key:	ZPYLKZRKXDCEQI-UHFFFAOYSA-N
Boiling Point:	386.2 °C at 760 mmHg
Density:	1.295 g/cm³
Appearance:	Solid
MDL:	MFCD00798371
LogP:	2.06050

Publication Number	Title	Priority Date
CA-2895129-A1	Quinazoline neurotensin receptor 1 agonists and uses thereof	20121220
EP-2938608-A1	Small molecule agonists of neurotensin receptor 1	20121220
JP-2016507501-A	Neurotensin receptor 1 small molecule agonist	20121220
JP-6391120-B2	Neurotensin receptor 1 small molecule agonist	20121220
US-2015329497-A1	Small molecule agonists of neurotensin receptor 1	20121220

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Related Functional Groups

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[1423024-26-3]
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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.0913548
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.0913548
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3