(2S,5R)-1-Boc-2,5-dimethylpiperazine - CAS 548762-66-9

Name: (2S,5R)-1-Boc-2,5-dimethylpiperazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028840
Product Name:	(2S,5R)-1-Boc-2,5-dimethylpiperazine
CAS:	548762-66-9
Synonyms:	(2S,5R)-2,5-dimethyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
Description:	An intermediate used in the synthesis of a series of derivatives of the 4-fluorobenzyl dimethylpiperazine-indole class of p38α MAP kinase inhibitors with improved pharmacokinetic properties.An intermediate used in the enantioselective synthesis of (-)-1-allyl-(2S,5R)-dimethylpiperazine (I), an important intermediate in the synthesis of δ-opioid receptor ligands.
Molecular Weight:	214.30
Molecular Formula:	C11H22N2O2
Canonical SMILES:	CC1CNC(CN1C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C11H22N2O2/c1-8-7-13(9(2)6-12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3/t8-,9+/m1/s1
InChI Key:	PGZCVLUQTJRRAA-BDAKNGLRSA-N
Boiling Point:	279.738 °C at 760 mmHg
Density:	0.971 g/cm³
LogP:	1.87040

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3