1-Boc-4-(3-bromophenoxy)piperidine - CAS 790667-54-8

Catalog:	BB036280
Product Name:	1-Boc-4-(3-bromophenoxy)piperidine
CAS:	790667-54-8
Synonyms:	4-(3-bromophenoxy)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(3-bromophenoxy)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-(3-bromophenoxy)piperidine-1-carboxylate
Description:	1-Boc-4-(3-bromophenoxy)piperidine (CAS# 790667-54-8 ) is a useful research chemical.
Molecular Weight:	356.25
Molecular Formula:	C16H22BrNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=CC=C2)Br
InChI:	InChI=1S/C16H22BrNO3/c1-16(2,3)21-15(19)18-9-7-13(8-10-18)20-14-6-4-5-12(17)11-14/h4-6,11,13H,7-10H2,1-3H3
InChI Key:	OFMHYHKXBMYVPZ-UHFFFAOYSA-N
MDL:	MFCD12026057
LogP:	4.16530

Publication Number	Title	Priority Date
US-2020206201-A1	Cereblon modulators and uses thereof	20181228
US-2020216507-A1	In vivo engineered cereblon protein	20181228
US-10781239-B2	In vivo engineered cereblon protein	20181228
US-10869860-B2	Cereblon modulators and uses thereof	20181228
WO-2020140039-A1	In vivo engineered cereblon protein	20181228

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	348
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	355.07831
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	355.07831
Rotatable Bond Count:	4
Topological Polar Surface Area:	38.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4