1,4-Bis(Boc)-2-piperazinemethanol - CAS 143540-05-0

Name: 1,4-Bis(Boc)-2-piperazinemethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009619
Product Name:	1,4-Bis(Boc)-2-piperazinemethanol
CAS:	143540-05-0
Synonyms:	2-(hydroxymethyl)piperazine-1,4-dicarboxylic acid ditert-butyl ester; ditert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Technical Data

IUPAC Name:	ditert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
Description:	1,4-Bis(Boc)-2-piperazinemethanol (CAS# 143540-05-0) is a useful compound for the preparation of the LSD1 inhibitor.
Molecular Weight:	316.39
Molecular Formula:	C15H28N2O5
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(C(C1)CO)C(=O)OC(C)(C)C
InChI:	InChI=1S/C15H28N2O5/c1-14(2,3)21-12(19)16-7-8-17(11(9-16)10-18)13(20)22-15(4,5)6/h11,18H,7-10H2,1-6H3
InChI Key:	TXCFQKQBPSGAKK-UHFFFAOYSA-N
Appearance:	White to yellow solid
MDL:	MFCD09908093
LogP:	1.71090

Publication Number	Title	Priority Date
EA-032698-B1	3-TETRAZOLYL-BENZENE-1,2-DISULPHONAMIDE DERIVATIVES AS METAL-Î²-LACTAMASE INHIBITORS	20150626
US-10221163-B2	Metallo-beta-lactamase inhibitors	20150626
US-10544130-B2	Metallo-beta-lactamase inhibitors	20150626
US-2018244656-A1	Metallo-beta-lactamase inhibitors	20150626
US-2019144432-A1	Metallo-beta-lactamase inhibitors	20150626

Complexity:	411
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	316.199822
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	316.199822
Rotatable Bond Count:	5
Topological Polar Surface Area:	79.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2