N-Boc-4-iodopiperidine - CAS 301673-14-3

Catalog:	BB020477
Product Name:	N-Boc-4-iodopiperidine
CAS:	301673-14-3
Synonyms:	4-iodo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-iodopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-iodopiperidine-1-carboxylate
Description:	N-Boc-4-iodopiperidine (CAS# 301673-14-3) is a useful research chemical compound.
Molecular Weight:	311.16
Molecular Formula:	C10H18INO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)I
InChI:	InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
InChI Key:	YFWQFKUQVJNPKP-UHFFFAOYSA-N
Boiling Point:	318.8 °C at 760 mmHg
Density:	1.5 g/cm³
MDL:	MFCD04115041
LogP:	2.75880

Publication Number	Title	Priority Date
WO-2021209539-A1	Pyrrolo[1,2-d][1,2,4]triazine-2-yl-acetamides as inhibitors of the nlrp3 inflammasome pathway	20200415
WO-2021206876-A1	Inhibitors of norovirus and coronavirus replication	20200410
WO-2021129621-A1	Pyrazole compounds	20191223
CN-111056990-A	Preparation method for synthesizing 1-tert-butyloxycarbonyl-4- (4-carboxyphenyl) piperidine	20191216
US-2021130342-A1	Pyridazinones as parp7 inhibitors	20191030

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GHS Hazard Statement:	H302 (25%): 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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	311.03823
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	311.03823
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6