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887587-44-2 | 1-Piperidinecarboxylicacid, 3-[[(4-fluorophenyl)amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887587-44-2 Catalog No: AG004C21 MDL No:
Product Description
Catalog Number:
AG004C21
Chemical Name:
1-Piperidinecarboxylicacid, 3-[[(4-fluorophenyl)amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-44-2
Molecular Formula:
C17H25FN2O2
Molecular Weight:
308.3910
IUPAC Name:
tert-butyl 3-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)20-10-4-5-13(12-20)11-19-15-8-6-14(18)7-9-15/h6-9,13,19H,4-5,10-12H2,1-3H3
InChI Key:
FIZMISDRFODYSK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)NCC1CCCN(C1)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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