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1454-53-1 | 3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
CAS No: 1454-53-1 Catalog No: AG001KVF MDL No:MFCD00012800
Product Description
Catalog Number:
AG001KVF
Chemical Name:
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
CAS Number:
1454-53-1
Molecular Formula:
C15H20ClNO3
Molecular Weight:
297.7772
MDL Number:
MFCD00012800
IUPAC Name:
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H
InChI Key:
YPFMNHZRNXPYBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(CCC1=O)Cc1ccccc1.Cl
EC Number:
215-929-9
NSC Number:
15156
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.779g/mol
Monoisotopic Mass:
297.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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