1-Boc-4-ethynyl-4-hydroxypiperidine - CAS 275387-83-2

Name: 1-Boc-4-ethynyl-4-hydroxypiperidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061868
Product Name:	1-Boc-4-ethynyl-4-hydroxypiperidine
CAS:	275387-83-2
Synonyms:	tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate; 1-Boc-4-ethynyl-4-hydroxypiperidine; 4-Ethynyl-1-tert-butoxycarbonylpiperidin-4-ol; N-Boc-4-hydroxy-4-ethynyl-piperidine; 4-ethynyl-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-ethynyl-4-hydroxypiperidine-1-carboxylate
Molecular Weight:	225.28
Molecular Formula:	C12H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)(C#C)O
InChI:	InChI=1S/C12H19NO3/c1-5-12(15)6-8-13(9-7-12)10(14)16-11(2,3)4/h1,15H,6-9H2,2-4H3
InChI Key:	SHEYWYIIXFHSNB-UHFFFAOYSA-N
References:	Cheng, Y., et al. PCT Int. Appl., (2020).

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.13649347
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9