Home Carbonyls 1-Benzyl-3-methoxycarbonyl-4-piperidone

1-Benzyl-3-methoxycarbonyl-4-piperidone

CAS No.:
57611-47-9
Catalog Number:
AG00E9QX
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$59
- +
5g
95%
In Stock USA
United States
$232
- +
10g
95%
In Stock USA
United States
$444
- +
25g
95%
In Stock USA
United States
$925
- +
Product Description
Catalog Number:
AG00E9QX
Chemical Name:
1-Benzyl-3-methoxycarbonyl-4-piperidone
CAS Number:
57611-47-9
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD00044754
IUPAC Name:
methyl 1-benzyl-4-oxopiperidine-3-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:
PHTILULPLFUXPS-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CCC1=O)Cc1ccccc1
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties