1-(3-Carbomethoxyphenyl)-4-methylpiperazine - CAS 474334-89-9

Catalog:	BB026283
Product Name:	1-(3-Carbomethoxyphenyl)-4-methylpiperazine
CAS:	474334-89-9
Synonyms:	methyl 3-(4-methylpiperazin-1-yl)benzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(4-methylpiperazin-1-yl)benzoate
Description:	1-(3-Carbomethoxyphenyl)-4-methylpiperazine (CAS# 474334-89-9 ) is a useful research chemical.
Molecular Weight:	234.29
Molecular Formula:	C13H18N2O2
Canonical SMILES:	CN1CCN(CC1)C2=CC=CC(=C2)C(=O)OC
InChI:	InChI=1S/C13H18N2O2/c1-14-6-8-15(9-7-14)12-5-3-4-11(10-12)13(16)17-2/h3-5,10H,6-9H2,1-2H3
InChI Key:	LPOJJZXQESTVEV-UHFFFAOYSA-N
Boiling Point:	169-172 °C / 0.9 mmHg (lit.)
Density:	1.119 g/mL at 25 °C(lit.)
Appearance:	Colorless to dark yellow liquid
LogP:	1.22790

Publication Number	Title	Priority Date
EP-3578562-A1	L-valinate amide benzoxaborole derivatives for the treatment of parasitic diseases	20160512
US-2017327519-A1	Oxaborole esters and uses thereof	20160512
WO-2017195069-A1	Oxaborole esters and uses thereof	20160512
US-10882872-B2	Oxaborole esters and uses thereof	20160512
EP-3578562-B1	L-valinate amide benzoxaborole derivatives for the treatment of parasitic diseases	20160512

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Piperazines

[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[55276-43-2]
1-Methanesulfonylpiperazine
[120-43-4]
Ethyl 1-piperazinecarboxylate
[104481-24-5]
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate
[1197236-47-7]
Ethyl 4-[2-(4-amino-3-methylpyrazol-1-yl)propanoyl]piperazine-1-carboxylate hydrochloride

Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.136827821
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7