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

Name: 1-(3-Carbomethoxyphenyl)-4-methylpiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Piperazines

[25629-32-7]C6H10N2O3
(3-Oxopiperazin-1-yl)acetic acid
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1217482-26-2]C5H14Cl2N2O
(R)-piperazin-2-ylmethanol dihydrochloride
[55513-17-2]C11H14Cl2N2
1-(3,4-Dichlorobenzyl)piperazine
[120-43-4]C7H14N2O2
Ethyl 1-piperazinecarboxylate
[104481-24-5]C10H15N3O2S
Ethyl 2-piperazin-1-yl-thiazole-4-carboxylate

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

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