1-Boc-2,6-dimethyl-piperazine - CAS 688363-66-8

Catalog:	BB033642
Product Name:	1-Boc-2,6-dimethyl-piperazine
CAS:	688363-66-8
Synonyms:	2,6-dimethyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2,6-dimethylpiperazine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 2,6-dimethylpiperazine-1-carboxylate
Description:	1-Boc-2,6-dimethyl-piperazine (CAS# 688363-66-8) is a useful research chemical.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC1CNCC(N1C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C11H22N2O2/c1-8-6-12-7-9(2)13(8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChI Key:	RBOGBIZGALIITO-UHFFFAOYSA-N
Purity:	95 %
Appearance:	Solid
LogP:	1.87040

Publication Number	Title	Priority Date
WO-2021127404-A1	Tricyclic pyridones and pyrimidones	20191220
WO-2021123291-A1	Oga inhibitor compounds	20191218
US-2021154179-A1	Substituted pyridines and methods of use	20191122
WO-2021102468-A1	Substituted 1,5-naphthyridines or quinolines as alk5 inhibitors	20191122
WO-2021058024-A1	Lsd1 inhibitor	20190929

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.168127949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.168127949
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3