1-Boc-3-phenyl-4-piperidone - CAS 632352-56-8

Catalog:	BB032068
Product Name:	1-Boc-3-phenyl-4-piperidone
CAS:	632352-56-8
Synonyms:	4-oxo-3-phenyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-oxo-3-phenylpiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 4-oxo-3-phenylpiperidine-1-carboxylate
Description:	1-Boc-3-phenyl-4-piperidone (CAS# 632352-56-8) is a useful research chemical.
Molecular Weight:	275.34
Molecular Formula:	C16H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)C(C1)C2=CC=CC=C2
InChI:	InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-9-14(18)13(11-17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChI Key:	SIZBVZFDWNCKJM-UHFFFAOYSA-N
MDL:	MFCD08669341
LogP:	2.91800

Publication Number	Title	Priority Date
US-2020061041-A1	Piperidinyl-3-(aryloxy)propanamides and propanoates	20180301
WO-2019169153-A1	Piperidinyl-3-(aryloxy)propanamides and propanoates	20180301
AU-2019228568-A1	Piperidinyl-3-(aryloxy)propanamides and propanoates	20180301
KR-20200138245-A	Piperidinyl-3-(aryloxy)propanamide and propionate	20180301
BR-112020017644-A2	PIPERIDINYL-3- (ARYLOXY) PROPANAMIDES AND PROPANOATES	20180301

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Related Functional Groups

Piperidones

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GHS Hazard Statement:	H302 (100%): 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:	366
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.15214353
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	275.15214353
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3