4-(1-Boc-3-azetidinyl)piperidine - CAS 1251006-64-0

Catalog:	BB006067
Product Name:	4-(1-Boc-3-azetidinyl)piperidine
CAS:	1251006-64-0
Synonyms:	3-(4-piperidinyl)-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-piperidin-4-ylazetidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-piperidin-4-ylazetidine-1-carboxylate
Description:	4-(1-Boc-3-azetidinyl)piperidine (CAS# 1251006-64-0) is a useful research chemical.
Molecular Weight:	240.34
Molecular Formula:	C13H24N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(C1)C2CCNCC2
InChI:	InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-11(9-15)10-4-6-14-7-5-10/h10-11,14H,4-9H2,1-3H3
InChI Key:	NVJNOFWSEGNPKX-UHFFFAOYSA-N
LogP:	2.11960

Publication Number	Title	Priority Date
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021194879-A1	Indazole based compounds and associated methods of use	20200321
WO-2021170046-A1	Tyk-2 inhibitor	20200226
WO-2020150385-A1	Antimicrobial compounds and methods	20190116
WO-2020089025-A1	Pyridinyl sulfonamide derivatives, pharmaceutical compositions and uses thereof	20181029

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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:	274
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.183778013
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	240.183778013
Rotatable Bond Count:	3
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5