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856933-07-8 | 1-Piperidinecarboxylicacid, 4-[[(3-fluorophenyl)methyl]amino]-, 1,1-dimethylethyl ester
CAS No: 856933-07-8 Catalog No: AG004PQW MDL No:
Product Description
Catalog Number:
AG004PQW
Chemical Name:
1-Piperidinecarboxylicacid, 4-[[(3-fluorophenyl)methyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
856933-07-8
Molecular Formula:
C17H25FN2O2
Molecular Weight:
308.3910
IUPAC Name:
tert-butyl 4-[(3-fluorophenyl)methylamino]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-9-7-15(8-10-20)19-12-13-5-4-6-14(18)11-13/h4-6,11,15,19H,7-10,12H2,1-3H3
InChI Key:
MGEIOVHGRIXQGR-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CNC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.397g/mol
Monoisotopic Mass:
308.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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