trans-1-Boc-4-hydroxy-3-methylpiperidine - CAS 955028-90-7

Catalog:	BB041739
Product Name:	trans-1-Boc-4-hydroxy-3-methylpiperidine
CAS:	955028-90-7
Synonyms:	(3R,4R)-4-hydroxy-3-methyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl (3R,4R)-4-hydroxy-3-methylpiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl (3R,4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
Description:	trans-1-Boc-4-hydroxy-3-methylpiperidine (CAS# 955028-90-7) is a useful research chemical.
Molecular Weight:	215.29
Molecular Formula:	C11H21NO3
Canonical SMILES:	CC1CN(CCC1O)C(=O)OC(C)(C)C
InChI:	InChI=1S/C11H21NO3/c1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1
InChI Key:	PSDMSGJMWVMEMV-RKDXNWHRSA-N
LogP:	1.56210

Publication Number	Title	Priority Date
US-2021188845-A1	Substituted bicyclic compounds useful as t cell activators	20191223
WO-2021133750-A1	Substituted bicyclic piperidine derivatives useful as t cell activators	20191223
US-2019142834-A1	Ubiquitin-specific-processing protease 7 (usp7) modulators and uses thereof	20171113
US-10722514-B2	Ubiquitin-specific-processing protease 7 (USP7) modulators and uses thereof	20171113
EP-3394061-B1	6,7-dihydro-5h-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the m4 muscarinic acetylcholine receptor	20151223

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GHS Hazard Statement:	H302 (100%): 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:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	215.15214353
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.15214353
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4