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887344-22-1 | 1,3-Piperidinedicarboxylicacid, 3-[(4-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester
CAS No: 887344-22-1 Catalog No: AG0045IS MDL No:MFCD03840049
Product Description
Catalog Number:
AG0045IS
Chemical Name:
1,3-Piperidinedicarboxylicacid, 3-[(4-fluorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester
CAS Number:
887344-22-1
Molecular Formula:
C18H24FNO4
Molecular Weight:
337.3859
MDL Number:
MFCD03840049
IUPAC Name:
3-[(4-fluorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
InChI:
InChI=1S/C18H24FNO4/c1-17(2,3)24-16(23)20-10-4-9-18(12-20,15(21)22)11-13-5-7-14(19)8-6-13/h5-8H,4,9-12H2,1-3H3,(H,21,22)
InChI Key:
PIGMVBMBZVCFHU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.169g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.391g/mol
Monoisotopic Mass:
337.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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