Home Other Building Blocks 1-[(3-methoxyphenyl)methyl]piperidin-4-one

1-[(3-methoxyphenyl)methyl]piperidin-4-one

CAS No.:
163341-33-1
Catalog Number:
AG01A2DZ
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01A2DZ
Chemical Name:
1-[(3-methoxyphenyl)methyl]piperidin-4-one
CAS Number:
163341-33-1
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD09942155
IUPAC Name:
1-[(3-methoxyphenyl)methyl]piperidin-4-one
InChI:
InChI=1S/C13H17NO2/c1-16-13-4-2-3-11(9-13)10-14-7-5-12(15)6-8-14/h2-4,9H,5-8,10H2,1H3
InChI Key:
JKWQJPKVFRHUDD-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CN1CCC(=O)CC1
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties