(S)-N-Boc-3-(bromomethyl)piperidine - CAS 158406-99-6

Catalog:	BB011411
Product Name:	(S)-N-Boc-3-(bromomethyl)piperidine
CAS:	158406-99-6
Synonyms:	(3S)-3-(bromomethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3S)-3-(bromomethyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (3S)-3-(bromomethyl)piperidine-1-carboxylate
Description:	(S)-N-Boc-3-(bromomethyl)piperidine (CAS# 158406-99-6) is a useful research chemical compound.
Molecular Weight:	278.19
Molecular Formula:	C11H20BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)CBr
InChI:	InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3/t9-/m1/s1
InChI Key:	MGGZYACWICDRRD-SECBINFHSA-N
Appearance:	Solid
MDL:	MFCD11111933
LogP:	2.96630

Publication Number	Title	Priority Date
WO-2021161105-A1	P2x3 modulators	20200214
CN-112218863-A	O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranosidase inhibitors	20180314
US-2021040080-A1	O-glycoprotein-2-acetamido-2-deoxy-3-d-glycopyranosidase inhibitors	20180314
JP-2021518340-A	O-glycoprotein-2-acetamido-2-deoxy-3-D-glycopyranosidase inhibitor	20180314
EP-3634962-A1	Azaindole compounds as histone methyltransferase inhibitors	20170609

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	277.06774
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.06774
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6