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1445-73-4 | 4-Piperidinone, 1-methyl-
CAS No: 1445-73-4 Catalog No: AG001JN9 MDL No:MFCD00006191
Product Description
Catalog Number:
AG001JN9
Chemical Name:
4-Piperidinone, 1-methyl-
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 |
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