1-Boc-4-(3-bromophenyl)piperidine - CAS 886362-62-5

Catalog:	BB039040
Product Name:	1-Boc-4-(3-bromophenyl)piperidine
CAS:	886362-62-5
Synonyms:	4-(3-bromophenyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-(3-bromophenyl)piperidine-1-carboxylate
Description:	1-Boc-4-(3-bromophenyl)piperidine (CAS# 886362-62-5) is a useful research chemical compound.
Molecular Weight:	340.26
Molecular Formula:	C16H22BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)Br
InChI:	InChI=1S/C16H22BrNO2/c1-16(2,3)20-15(19)18-9-7-12(8-10-18)13-5-4-6-14(17)11-13/h4-6,11-12H,7-10H2,1-3H3
InChI Key:	SDAPURUFUOOCTE-UHFFFAOYSA-N
Boiling Point:	397.8 °C at 760 mmHg
Density:	1.283 g/cm³
LogP:	4.50150

Publication Number	Title	Priority Date
US-10407422-B2	Triazolopyridine inhibitors of myeloperoxidase	20150903
US-2019023701-A1	Triazolopyridine inhibitors of myeloperoxidase	20150903
WO-2017040449-A1	Triazolopyridine inhibitors of myeloperoxidase	20150903
EP-3054936-A1	4-((2-hydroxy-3-methoxybenzyl)amino) benzenesulfonamide derivatives as 12-lipoxygenase inhibitors	20131010
US-10266488-B2	4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase	20131010

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	332
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	339.08339
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	339.08339
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4