1-Benzyl-4-(4-nitrophenyl)piperazine - CAS 16155-08-1

Name: 1-Benzyl-4-(4-nitrophenyl)piperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011757
Product Name:	1-Benzyl-4-(4-nitrophenyl)piperazine
CAS:	16155-08-1
Synonyms:	1-(4-nitrophenyl)-4-(phenylmethyl)piperazine; 1-benzyl-4-(4-nitrophenyl)piperazine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-benzyl-4-(4-nitrophenyl)piperazine
Description:	1-Benzyl-4-(4-nitrophenyl)piperazine (CAS# 16155-08-1) is a useful research chemical.
Molecular Weight:	297.35
Molecular Formula:	C17H19N3O2
Canonical SMILES:	C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI:	InChI=1S/C17H19N3O2/c21-20(22)17-8-6-16(7-9-17)19-12-10-18(11-13-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChI Key:	NKULTGZUGOISIZ-UHFFFAOYSA-N
Boiling Point:	461.7 °C at 760 mmHg
Density:	1.224 g/cm³
MDL:	MFCD00215725
LogP:	3.44310

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Related Functional Groups

Piperazines

[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1187874-30-1]C15H15F3N4O
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[120-43-4]C7H14N2O2
Ethyl 1-piperazinecarboxylate
[104481-24-5]C10H15N3O2S
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[1423024-26-3]C6H17Cl3N6
N''-(piperazine-1-carboximidoyl)guanidine trihydrochloride
[27106-51-0]C11H16N2O2S
1-(Toluene-4-sulfonyl)piperazine

Publication Number	Title	Priority Date
EP-2440204-A1	Nicotinamide compounds useful as kinase modulators	20090612
WO-2010144647-A1	Nicotinamide compounds useful as kinase modulators	20090612
AU-2009239778-A1	Pyrrole antifungal agents	20080424
AU-2009239778-B2	Pyrrole antifungal agents	20080424
CA-2721944-A1	Pyrrole antifungal agents	20080424

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.147726857
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	297.147726857
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2