1-Boc-4-(2,4-difluorobenzyl)piperazine - CAS 1065586-31-3

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

Catalog:	BB061623
Product Name:	1-Boc-4-(2,4-difluorobenzyl)piperazine
CAS:	1065586-31-3
Synonyms:	1-BOC-4-(2,4-difluorobenzyl)piperazine; tert-butyl 4-[(2,4-difluorophenyl)methyl]piperazine-1-carboxylate; t-butyl 4-(2,4-difluorobenzyl)piperazine-1-carboxylate

Technical Data

Computed Properties

IUPAC Name:	tert-butyl 4-[(2,4-difluorophenyl)methyl]piperazine-1-carboxylate
Molecular Weight:	312.35
Molecular Formula:	C16H22F2N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)F)F
InChI:	InChI=1S/C16H22F2N2O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)11-12-4-5-13(17)10-14(12)18/h4-5,10H,6-9,11H2,1-3H3
InChI Key:	TWUOECDWCAUMRQ-UHFFFAOYSA-N

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Complexity:	379
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	312.16493427
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	312.16493427
Rotatable Bond Count:	4
Topological Polar Surface Area:	32.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6