tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate - CAS 1638744-26-9

Name: tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012045
Product Name:	tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate
CAS:	1638744-26-9
Synonyms:	(2S,5R)-2,5-dimethyl-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate
Description:	tert-butyl (2S,5R)-4-benzyl-2,5-dimethylpiperazine-1-carboxylate (CAS# 1638744-26-9 ) is a useful research chemical.
Molecular Weight:	304.434
Molecular Formula:	C18H28N2O2
Canonical SMILES:	CC1CN(C(CN1C(=O)OC(C)(C)C)C)CC2=CC=CC=C2
InChI:	InChI=1S/C18H28N2O2/c1-14-12-20(17(21)22-18(3,4)5)15(2)11-19(14)13-16-9-7-6-8-10-16/h6-10,14-15H,11-13H2,1-5H3/t14-,15+/m1/s1
InChI Key:	XKSYUMRCBPYFNT-CABCVRRESA-N

Publication Number	Title	Priority Date
AU-2010243044-A1	Carbinol compound having heterocyclic linker	20090429
AU-2010243044-B2	Carbinol compound having heterocyclic linker	20090429
AU-2010243044-B8	Carbinol compound having heterocyclic linker	20090429
AU-2010243044-C1	Carbinol compound having heterocyclic linker	20090429
EP-2426113-A1	Carbinol compound having heterocyclic linker	20090429

Complexity:	372
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	304.21507814
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	304.21507814
Rotatable Bond Count:	4
Topological Polar Surface Area:	32.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3