(R)-1-Boc-2-isobutylpiperazine - CAS 1217599-13-7

Catalog:	BB005264
Product Name:	(R)-1-Boc-2-isobutylpiperazine
CAS:	1217599-13-7
Synonyms:	(2R)-2-(2-methylpropyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2R)-2-(2-methylpropyl)piperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl (2R)-2-(2-methylpropyl)piperazine-1-carboxylate
Description:	(R)-1-Boc-2-isobutylpiperazine (CAS# 1217599-13-7) is a useful research chemical.
Molecular Weight:	242.36
Molecular Formula:	C13H26N2O2
Canonical SMILES:	CC(C)CC1CNCCN1C(=O)OC(C)(C)C
InChI:	InChI=1S/C13H26N2O2/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m1/s1
InChI Key:	WXGGVOBNOVOVAM-LLVKDONJSA-N
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD07772099
LogP:	2.50810

Publication Number	Title	Priority Date
WO-2019119206-A1	Purine inhibitors of human phosphatidylinositol 3-kinase delta	20171218
US-2020392144-A1	Purine inhibitors of human phosphatidylinositol 3-kinase delta	20171218
EP-2643000-A2	Therapeutic piperazines	20100922
AU-2011209644-A1	Pyrazolopyridine kinase inhibitors	20100127
CA-2787321-A1	Pyrazolopyridine kinase inhibitors	20100127

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Related Functional Groups

Piperazines

[25629-32-7]
(3-Oxopiperazin-1-yl)acetic acid
[55276-43-2]
1-Methanesulfonylpiperazine
[510725-49-2]
1-(Pyridin-3-ylmethyl)piperazine hydroChloride
[27469-60-9]
1-Bis(4-fluorophenyl)methyl piperazine
[84477-72-5]
2,2-Dimethylpiperazine
[400756-19-6]
6,6-dimethyl-1-(propan-2-yl)piperazin-2-one

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	242.199428076
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.199428076
Rotatable Bond Count:	4
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2