4-Methyl-1-piperazineacetonitrile - CAS 874-77-1

Catalog:	BB038471
Product Name:	4-Methyl-1-piperazineacetonitrile
CAS:	874-77-1
Synonyms:	2-(4-methyl-1-piperazinyl)acetonitrile; 2-(4-methylpiperazin-1-yl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methylpiperazin-1-yl)acetonitrile
Description:	4-Methyl-1-piperazineacetonitrile (CAS# 874-77-1) is a useful research chemical.
Molecular Weight:	139.20
Molecular Formula:	C7H13N3
Canonical SMILES:	CN1CCN(CC1)CC#N
InChI:	InChI=1S/C7H13N3/c1-9-4-6-10(3-2-8)7-5-9/h3-7H2,1H3
InChI Key:	XCUQQNRWWCWVOP-UHFFFAOYSA-N
Boiling Point:	230.152 °C at 760 mmHg
Density:	0.998 g/cm³
MDL:	MFCD03840696
LogP:	-0.36682

Publication Number	Title	Priority Date
WO-2021047584-A1	SUBSTITUTED (2-AZABICYCLO [3.1.0] HEXAN-2-YL) PYRAZOLO [1, 5-a] PYRIMIDINE AND IMIDAZO [1, 2-b] PYRIDAZINE COMPOUNDS AS TRK KINASES INHIBITORS	20190911
US-2019345133-A1	Cxcr3 receptor agonists	20160902
WO-2018045246-A1	Cxcr3 receptor agonists	20160902
US-11040954-B1	CXCR3 receptor agonists	20160902
WO-2017108723-A2	PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS	20151222

PMID	Publication Date	Title	Journal
17140705	20070401	Synthesis, characterization and in vitro biological studies of novel cyano derivatives of N-alkyl and N-aryl piperazine	European journal of medicinal chemistry
14751315	20040101	DNA-directed alkylating agents: synthesis, antitumor activity and DNA affinity of bis-N,N'-trisubstituted 1,2,4-triazolo-piperazines	Farmaco (Societa chimica italiana : 1989)

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Related Functional Groups

Nitrogen Compounds

[937273-31-9]
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[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.110947427
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	139.110947427
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1