1-Boc-4-acetylpiperidine - CAS 206989-61-9

Catalog:	BB016161
Product Name:	1-Boc-4-acetylpiperidine
CAS:	206989-61-9
Synonyms:	4-acetyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-acetylpiperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-acetylpiperidine-1-carboxylate
Description:	1-Boc-4-acetylpiperidine (CAS# 206989-61-9) is a useful research chemical.
Molecular Weight:	227.30
Molecular Formula:	C12H21NO3
Canonical SMILES:	CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C12H21NO3/c1-9(14)10-5-7-13(8-6-10)11(15)16-12(2,3)4/h10H,5-8H2,1-4H3
InChI Key:	HNVBBNZWMSTMAZ-UHFFFAOYSA-N
Boiling Point:	312.365 °C at 760 mmHg
Density:	1.053 g/cm³
Appearance:	Liquid or low mp solid
MDL:	MFCD08437655
LogP:	2.16040

Publication Number	Title	Priority Date
CN-113045484-A	Preparation method of 2-amino-2- (1-methyl-4-piperidyl) propane-1-alcohol	20191227
WO-2021127337-A1	Trpml modulators	20191219
WO-2021105117-A1	Substituted aminoquinolones as dgkalpha inhibitors for immune activation	20191128
WO-2021069721-A1	Atf6 modulators and uses thereof	20191009
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001

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Related Functional Groups

Piperidones

[53825-32-4]
7,7,9,9-Tetramethyl-1,4-dioxa-8-azaspiro[4.5]decane-2-methanol
[52763-21-0]
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride
[1454-53-1]
Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride
[518990-24-4]
Ethyl 2-Oxo-2-(1-Boc-4-oxo-3-piperidyl)acetate
[117565-57-8]
1-Boc-3-ethyl-4-piperidinone
[324769-06-4]
N-Boc-3,3-dimethyl-4-piperidone

GHS Hazard Statement:	H301 (66.67%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.15214353
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.15214353
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3