4-Bromo-N-Z-piperidine - CAS 166953-64-6

Catalog:	BB012343
Product Name:	4-Bromo-N-Z-piperidine
CAS:	166953-64-6
Synonyms:	benzyl 4-bromopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	benzyl 4-bromopiperidine-1-carboxylate
Description:	4-Bromo-N-Z-piperidine (CAS# 166953-64-6) is a useful research chemical.
Molecular Weight:	298.18
Molecular Formula:	C13H16BrNO2
Canonical SMILES:	C1CN(CCC1Br)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C13H16BrNO2/c14-12-6-8-15(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChI Key:	BFWKSPOSMPKTSV-UHFFFAOYSA-N
Boiling Point:	385.1 °C at 760 mmHg
Purity:	98 %
Density:	1.374 g/cm³
Appearance:	Liquid
MDL:	MFCD02681990
LogP:	3.12040

Publication Number	Title	Priority Date
CN-112645971-A	Method for directly preparing alkyl borate compound from alkyl halide	20210120
WO-2020094749-A1	5-[6-[[3-(4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile derivatives and similar compounds as tlr7-9 antagonists for treating systemic lupus erythematosus	20181109
TW-202031650-A	Pyrazole compounds for the treatment of autoimmune disease	20181109
CN-113039185-A	5- [6- [ [3- (4,5,6, 7-tetrahydropyrazolo [4,3-C ] pyridin-1-yl) azetidin-1-yl ] methyl ] morpholin-4-yl ] quinoline-8-carbonitrile derivatives and analogous compounds as TLR7-9 antagonists for the treatment of systemic lupus erythematosus	20181109
EP-3877388-A1	5-[6-[[3-(4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)azetidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile derivatives and similar compounds as tlr7-9 antagonists for treating systemic lupus erythematosus	20181109

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tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[2355617-42-2]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.03644
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	297.03644
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9