1-Methylpiperidin-4-one

CAT: 0127-OR0648-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR0648-01Size:5 g

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CAS Number

1445-73-4

Synonyms

1-Methyl-4-oxopiperidine

MDL Number

MFCD00006191

Purity

98%

Smiles

CN1CCC(=O)CC1

Storage Conditions

Store at 2-8°C

Chemical Information

1-Methyl-4-piperidone

structure in first source

CAS Number	1445-73-4
PubChem CID	74049
IUPAC Name	1-methylpiperidin-4-one
Molecular Formula	C6H11NO
Molecular Weight	113.16
XLogP	-0.3
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	90

SMILES

CN1CCC(=O)CC1

InChI

InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3

InChIKey

HUUPVABNAQUEJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1445-73-4

CID: 74049

Formula: C6H11NO

MW: 113.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	113.16
XLogP3	-0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	113.084063974
Monoisotopic Mass	113.084063974
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR322347	1-Pyridin-4-yl-methylpiperidin-4-one
OR96274-01	1-Benzyl-4-methylpiperidin-3-one
OR1037673-01	4-Methylpiperidin-2-one
OR95924	1-Ethyl-3-methylpiperidin-4-one
OR22901	1-Benzyl-3-methylpiperidin-4-one
OR1023474-01	1-Methylpiperidin-2-One
OR55488	1-Methylpiperidin-3-one
OR1075081-01	4- (1-Methylpiperidin-4-yl) butan-2-one
OR1021608	4- (Aminomethyl) -1-methylpiperidin-2-one hydrochloride
OR1040258	(R) -1-Benzyl-3-methylpiperidin-4-one

Catalog	Name
AR-E01071-01	1-methylpiperidin-4-one
BAA51527	1-Methylpiperidin-4-one oxime
ZJC21113-01	2- (4-Bromophenyl) -1-methylpiperidin-4-one
WMA34532-01	1-Ethyl-2-methylpiperidin-4-one
abx181528-01	1-Benzyl-3-methylpiperidin-4-one
408851-01	1-Benzyl-4-methylpiperidin-3-one
JH919025	4-BROMO-1-METHYLPIPERIDIN-2-ONE
DAA61216	1-ethyl-3-methylpiperidin-4-one
sc-273400	1-methylpiperidin-4-one oxime hydrochloride
WTB33975-01	1- (1-Methylpiperidin-4-yl) piperidin-4-one