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Home Other Building Blocks 1-Methyl-4-piperidone

1-Methyl-4-piperidone

CAS No.:
1445-73-4
Catalog Number:
AG001JN9
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG001JN9
Chemical Name:
1-Methyl-4-piperidone
CAS Number:
1445-73-4
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
MDL Number:
MFCD00006191
IUPAC Name:
1-methylpiperidin-4-one
InChI:
InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
InChI Key:
HUUPVABNAQUEJW-UHFFFAOYSA-N
SMILES:
CN1CCC(=O)CC1
EC Number:
215-895-5
NSC Number:
66491
Properties
Complexity:
90.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
N-Methyl inversion and structure of six-membered heterocyclic rings: rotational spectrum of 1-methyl-4-piperidone. The journal of physical chemistry. A 20110901
3,5-Bis(4-chloro-benzyl-idene)-1-methyl-piperidin-4-one. Acta crystallographica. Section E, Structure reports online 20110401
1-[2,4,6-Trimethyl-3,5-bis-(4-oxopiperidin-1-ylmeth-yl)benz-yl]piperidin-4-one. Acta crystallographica. Section E, Structure reports online 20100601
A facile synthesis and antimycobacterial evaluation of novel spiro-pyrido-pyrrolizines and pyrrolidines. European journal of medicinal chemistry 20090901
2,10-Dihydr-oxy-13-methyl-13-aza-tetra-cyclo-[9.3.1.0.0]penta-deca-3(8),4,6-triene-9,15-dione. Acta crystallographica. Section E, Structure reports online 20090601
13-Hydr-oxy-4,16-dimethyl-4,16-diaza-penta-cyclo-[12.3.1.0.0.0]octa-deca-7(12),8,10-triene-6,18-dione. Acta crystallographica. Section E, Structure reports online 20090501
3-[(E)-4-Methoxy-benzyl-idene]-1-methyl-piperidin-4-one. Acta crystallographica. Section E, Structure reports online 20080301
3-[(E)-2,4-Dichloro-benzyl-idene]-1-methyl-piperidin-4-one. Acta crystallographica. Section E, Structure reports online 20080201
Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101
Properties