1-(1,3-Benzoxazol-2-yl)piperidin-4-one - CAS 1035840-42-6

Catalog:	BB050072
Product Name:	1-(1,3-Benzoxazol-2-yl)piperidin-4-one
CAS:	1035840-42-6
Synonyms:	2-Benzothiazolamine, 6-floro; 1-benzoxazol-2-ylpiperidin-4-one

Technical Data

Computed Properties

IUPAC Name:	1-(1,3-benzoxazol-2-yl)piperidin-4-one
Description:	1-(1,3-Benzoxazol-2-yl)piperidin-4-one (CAS# 1035840-42-6 ) is a useful research chemical.
Molecular Weight:	216.24
Molecular Formula:	C12H12N2O2
Canonical SMILES:	C1CN(CCC1=O)C2=NC3=CC=CC=C3O2
InChI:	InChI=1S/C12H12N2O2/c15-9-5-7-14(8-6-9)12-13-10-3-1-2-4-11(10)16-12/h1-4H,5-8H2
InChI Key:	SHLYGCSYYWXLCO-UHFFFAOYSA-N
Purity:	95 %

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[16263-54-0]
3,6-Dichlorobenzo[d]isoxazole
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one
[139549-26-1]
2-(Chloromethyl)-7-methylbenzoxazole
[329222-92-6]
Propyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
[1035840-69-7]
6-Chloro-5-methyl-2-piperidin-4-yl-1,3-benzoxazole

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Oxygen Compounds

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[861225-50-5]
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Piperidines

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[362489-61-0]
(3S,4R)-1-tert-Butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.08987763
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.08987763
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8