N-Boc-3-(2-hydroxyethyl)piperidine - CAS 146667-84-7

Catalog:	BB010111
Product Name:	N-Boc-3-(2-hydroxyethyl)piperidine
CAS:	146667-84-7
Synonyms:	3-(2-hydroxyethyl)-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate
Description:	N-Boc-3-(2-hydroxyethyl)piperidine (CAS# 146667-84-7) is a useful synthetic compound.
Molecular Weight:	229.32
Molecular Formula:	C12H23NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(C1)CCO
InChI:	InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-7-4-5-10(9-13)6-8-14/h10,14H,4-9H2,1-3H3
InChI Key:	DXABICKZWDHPIP-UHFFFAOYSA-N
Boiling Point:	324.066 °C at 760 mmHg
Density:	1.043 g/cm³
MDL:	MFCD04114970
LogP:	1.95380

Publication Number	Title	Priority Date
CA-3102326-A1	Substituted quinazolinone derivatives and their use as positive allosteric modulators of mglur4	20180726
CN-112566906-A	Substituted quinazolinone derivatives and their use as positive allosteric modulators of MGLUR4	20180726
FR-3072679-A1	NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM	20171025
WO-2019081559-A1	NOVEL MACROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM	20171025
BR-112020007924-A2	macrocyclic derivatives, process for their preparation and pharmaceutical compositions containing the same	20171025

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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:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.16779360
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.16779360
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5