1-Boc-4-chloropiperidine - CAS 154874-94-9

Catalog:	BB011067
Product Name:	1-Boc-4-chloropiperidine
CAS:	154874-94-9
Synonyms:	4-chloro-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-chloropiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-chloropiperidine-1-carboxylate
Description:	1-Boc-4-chloropiperidine (CAS# 154874-94-9) is a useful research chemical.
Molecular Weight:	219.71
Molecular Formula:	C10H18ClNO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)Cl
InChI:	InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
InChI Key:	NZZWXABIGMMKQL-UHFFFAOYSA-N
Boiling Point:	289.697 ℃ at 760 mmHg
Density:	1.111 g/cm³
MDL:	MFCD04115040
LogP:	2.56260

Publication Number	Title	Priority Date
WO-2021178420-A1	Compounds targeting rna-binding proteins or rna-modifying proteins	20200303
CN-113045569-A	Compounds useful as RET kinase inhibitors and uses thereof	20191227
WO-2021129841-A1	Compound used as ret kinase inhibitor and application thereof	20191227
AU-2017269462-A1	5-membered heterocycle fused with [3,4-D]pyridazinone, and manufacturing method, pharmaceutical composition, and application thereof	20160524
EP-3470415-A1	5-membered heterocycle fused with [3,4-d]pyridazinone, and manufacturing method, pharmaceutical composition, and application thereof	20160524

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Related Functional Groups

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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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.1026065
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.1026065
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3