N-Boc-3-hydroxy-4-methylenepiperidine - CAS 159635-22-0

Catalog:	BB011555
Product Name:	N-Boc-3-hydroxy-4-methylenepiperidine
CAS:	159635-22-0
Synonyms:	3-hydroxy-4-methylene-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-hydroxy-4-methylidenepiperidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3-hydroxy-4-methylidenepiperidine-1-carboxylate
Description:	N-Boc-3-hydroxy-4-methylenepiperidine (CAS# 159635-22-0) is a useful research chemical.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=C)C(C1)O
InChI:	InChI=1S/C11H19NO3/c1-8-5-6-12(7-9(8)13)10(14)15-11(2,3)4/h9,13H,1,5-7H2,2-4H3
InChI Key:	IMRNHROGUGVTAI-UHFFFAOYSA-N
Boiling Point:	309.018 °C at 760 mmHg
Density:	1.092 g/cm³
MDL:	MFCD15474939
LogP:	1.48220

Publication Number	Title	Priority Date
US-2014336153-A1	Substituted pyridine derivatives as fabi inhibitors	20111202
US-9062002-B2	Substituted pyridine derivatives as FabI inhibitors	20111202
WO-2013080222-A1	Substituted pyridine derivatives as fabi inhibitors	20111202
WO-2013010453-A1	Chemoking receptor antagonists	20110715
CA-2776914-A1	Diazepan derivatives as modulators of chemokine receptors	20091021

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GHS Hazard Statement:	H302 (50%): 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:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8