1-Methyl-4-(3-nitrophenyl)piperazine - CAS 148546-97-8

Catalog:	BB010318
Product Name:	1-Methyl-4-(3-nitrophenyl)piperazine
CAS:	148546-97-8
Synonyms:	1-methyl-4-(3-nitrophenyl)piperazine; 1-methyl-4-(3-nitrophenyl)piperazine

Technical Data

Patents

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Computed Properties

IUPAC Name:	1-methyl-4-(3-nitrophenyl)piperazine
Description:	1-Methyl-4-(3-nitrophenyl)piperazine (CAS# 148546-97-8) is a useful research chemical.
Molecular Weight:	221.26
Molecular Formula:	C11H15N3O2
Canonical SMILES:	CN1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI:	InChI=1S/C11H15N3O2/c1-12-5-7-13(8-6-12)10-3-2-4-11(9-10)14(15)16/h2-4,9H,5-8H2,1H3
InChI Key:	IIRKKCDXJIXWHI-UHFFFAOYSA-N
Boiling Point:	351.9 °C at 760 mmHg
Density:	1.198 g/cm³
Appearance:	Orange solid
MDL:	MFCD08435858
LogP:	1.87270

Publication Number	Title	Priority Date
TW-201934546-A	Pyrimidine compound, preparation method thereof and medical use thereof	20180212
WO-2019154177-A1	Pyrimidine compound, preparation method thereof and medical use thereof	20180212
CN-111566100-A	Pyrimidine compound, preparation method and medical application thereof	20180212
US-2021101881-A1	Pyrimidine compound, preparation method thereof and medical use thereof	20180212
CN-109721600-B	Nitrogen-containing fused ring compounds and preparation method and application thereof	20171030

PMID	Publication Date	Title	Journal
11689081	20011108	Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP)	Journal of medicinal chemistry

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Related Functional Groups

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[510725-49-2]
1-(Pyridin-3-ylmethyl)piperazine hydroChloride
[84477-72-5]
2,2-Dimethylpiperazine
[400756-19-6]
6,6-dimethyl-1-(propan-2-yl)piperazin-2-one

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.11642673
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.11642673
Rotatable Bond Count:	1
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7