(3R)-3-(Trifluoromethyl)-1-piperazinecarboxylic acid 1,1-Dimethylethyl Ester - CAS 1240587-88-5

Catalog:	BB057177
Product Name:	(3R)-3-(Trifluoromethyl)-1-piperazinecarboxylic acid 1,1-Dimethylethyl Ester
CAS:	1240587-88-5
Synonyms:	(R)-TERT-BUTYL 3-(TRIFLUOROMETHYL)PIPERAZINE-1-CARBOXYLATE; (R)-3-TRIFLUOROMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER; (3R)-3-(Trifluoromethyl)-1-piperazinecarboxylic acid 1,1-Dimethylethyl Ester; TERT-BUTYL (3R)-3-(TRIFLUOROMETHYL)PIPERAZINE-1-CARBOXYLATE; (R)-1-Boc-3-(trifluoromethyl)piperazine

Technical Data

IUPAC Name:	tert-butyl (3R)-3-(trifluoromethyl)piperazine-1-carboxylate
Description:	The rac mixture was used as a reactant to synthesize sulfonyl-acylpiperazines as selective cannabinoid-1 receptor inverse agonists for obesity therapy.
Molecular Weight:	254.25
Molecular Formula:	C10H17F3N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCNC(C1)C(F)(F)F
InChI:	InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-/m1/s1
InChI Key:	WCGKHZHOGLVVPU-SSDOTTSWSA-N
References:	Vachal, P., et al. J. Med. Chem., 52, 2550 (2009).

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	254.12421228
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.12421228
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6