Home Carboxys 1-benzoyl-4-ethylpiperidine-4-carboxylic acid

1-benzoyl-4-ethylpiperidine-4-carboxylic acid

CAS No.:
1405627-45-3
Catalog Number:
AG01A5RN
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
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Product Description
Catalog Number:
AG01A5RN
Chemical Name:
1-benzoyl-4-ethylpiperidine-4-carboxylic acid
CAS Number:
1405627-45-3
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD18589614
IUPAC Name:
1-benzoyl-4-ethylpiperidine-4-carboxylic acid
InChI:
InChI=1S/C15H19NO3/c1-2-15(14(18)19)8-10-16(11-9-15)13(17)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,18,19)
InChI Key:
DVILJYNASZUKRN-UHFFFAOYSA-N
SMILES:
CCC1(CCN(CC1)C(=O)c1ccccc1)C(=O)O
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties