AG004TSV

836-21-5 | 1-Benzyl-3,5-dimethylpiperidin-4-one

AG004TSV

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CAS Number	836-21-5
Catalog Number	AG004TSV(AGN-PC-03N95H)
Chemical Name	1-Benzyl-3,5-dimethylpiperidin-4-one
IUPAC Name	1-benzyl-3,5-dimethylpiperidin-4-one
InChI	InChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChI Key	KUUYMZATYJQLLZ-UHFFFAOYSA-N
MDL Number	MFCD14583139
Molecular Formula	C14H19NO
Molecular Weight	217.3068
SMILES	O=C1C(C)CN(CC2=CC=CC=C2)CC1C
Synonyms	1-benzyl-3,5-dimethylpiperidin-4-one, 836-21-5, 4-Piperidinone, 3,5-dimethyl-1-(phenylmethyl)-, AK-88855, SCHEMBL654452, CTK3D1564, KS-00000SBX, DTXSID60624246, KUUYMZATYJQLLZ-UHFFFAOYSA-N, MFCD14583139, AKOS024260045, 1-benzyl-3,5-dimethyl-4-piperidinone, 1-benzyl-3,5-dimethyl-piperidin4-one, CS-W004207, DS-7309, MCULE-5634311669, NE15782, 1-benzyl-3,5-dimethyl-piperidin-4-one, AK152622, AM101333, 4CH-016357, ST24037772, EN300-78849, Z1415894007, (3S,5R)-1-Benzyl-3,5-dimethylpiperidin-4-one, 324769-03-1,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.147g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.312g/mol
Monoisotopic Mass	217.147g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number