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1260767-11-0 | 1-Piperidinecarboxylic acid, 3-[(4-methoxyphenyl)methyl]-4-oxo-, 1,1-dimethylethyl ester
CAS No: 1260767-11-0 Catalog No: AG000R6L MDL No:
Product Description
Catalog Number:
AG000R6L
Chemical Name:
1-Piperidinecarboxylic acid, 3-[(4-methoxyphenyl)methyl]-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
1260767-11-0
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
IUPAC Name:
tert-butyl 3-[(4-methoxyphenyl)methyl]-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-10-9-16(20)14(12-19)11-13-5-7-15(22-4)8-6-13/h5-8,14H,9-12H2,1-4H3
InChI Key:
NBBLEHPXXAJVGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CC1CN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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