1-Boc-2-isopropylpiperazine - CAS 886766-25-2

Catalog:	BB039145
Product Name:	1-Boc-2-isopropylpiperazine
CAS:	886766-25-2
Synonyms:	2-propan-2-yl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-propan-2-ylpiperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-propan-2-ylpiperazine-1-carboxylate
Description:	1-Boc-2-isopropylpiperazine (CAS# 886766-25-2) is a useful research chemical compound.
Molecular Weight:	228.33
Molecular Formula:	C12H24N2O2
Canonical SMILES:	CC(C)C1CNCCN1C(=O)OC(C)(C)C
InChI:	InChI=1S/C12H24N2O2/c1-9(2)10-8-13-6-7-14(10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3
InChI Key:	NZTWGWFHWJARJX-UHFFFAOYSA-N
MDL:	MFCD08273957
LogP:	2.11800

Publication Number	Title	Priority Date
BR-112020026681-A2	NAFTHYRIDINONE COMPOUNDS REPLACED USEFUL AS T-CELL ACTIVATORS	20180627
WO-2018183936-A1	Compounds and methods useful for treating or preventing cancers	20170331
AU-2015369712-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
US-10703746-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
CN-106715413-A	Piperazine derivatives as liver x receptor modulators	20140807

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Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.183778013
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.183778013
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9