trans-3-(Boc-amino)-4-hydroxypiperidine - CAS 859854-68-5

Catalog:	BB037793
Product Name:	trans-3-(Boc-amino)-4-hydroxypiperidine
CAS:	859854-68-5
Synonyms:	N-[(3R,4R)-4-hydroxy-3-piperidinyl]carbamic acid tert-butyl ester; tert-butyl N-[(3R,4R)-4-hydroxypiperidin-3-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(3S,4S)-4-hydroxypiperidin-3-yl]carbamate
Description:	trans-3-(Boc-amino)-4-hydroxypiperidine (CAS# 859854-68-5 ) is a useful research chemical.
Molecular Weight:	216.28
Molecular Formula:	C10H20N2O3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CNCCC1O
InChI:	InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-6-11-5-4-8(7)13/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1
InChI Key:	REUNVCLBHFFYFH-HTQZYQBOSA-N
LogP:	0.76710

Publication Number	Title	Priority Date
US-2020308145-A1	Benzimidazole derivatives and their uses	20171019
US-10407407-B2	Benzoimidazole derivatives as PAD4 inhibitors	20150521
US-2018297983-A1	Benzoimidazole derivatives as pad4 inhibitors	20150521
US-2020095227-A1	Benzoimidazole derivatives as pad4 inhibitors	20150521
US-10815218-B2	Benzoimidazole derivatives as PAD4 inhibitors	20150521

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	216.1473925
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	216.1473925
Rotatable Bond Count:	3
Topological Polar Surface Area:	70.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1