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13707-23-8 | Methanone, (4-methylphenyl)-1-piperidinyl-
CAS No: 13707-23-8 Catalog No: AG0012TA MDL No:
Product Description
Catalog Number:
AG0012TA
Chemical Name:
Methanone, (4-methylphenyl)-1-piperidinyl-
CAS Number:
13707-23-8
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
(4-methylphenyl)-piperidin-1-ylmethanone
InChI:
InChI=1S/C13H17NO/c1-11-5-7-12(8-6-11)13(15)14-9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChI Key:
JHOMIXKATLMPEJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C)N1CCCCC1
NSC Number:
38133
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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