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89261-27-8 | 2-Piperidineacetic acid, 1-(3,5-dimethoxyphenyl)-
CAS No: 89261-27-8 Catalog No: AG0041YP MDL No:
Product Description
Catalog Number:
AG0041YP
Chemical Name:
2-Piperidineacetic acid, 1-(3,5-dimethoxyphenyl)-
CAS Number:
89261-27-8
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
2-[1-(3,5-dimethoxyphenyl)piperidin-2-yl]acetic acid
InChI:
InChI=1S/C15H21NO4/c1-19-13-7-12(8-14(10-13)20-2)16-6-4-3-5-11(16)9-15(17)18/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18)
InChI Key:
AYBYMZVJSJTTOJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)N1CCCCC1CC(=O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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