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1400764-52-4 | 1-Piperidinecarboxylic acid, 3-fluoro-4-[[[(phenylmethoxy)carbonyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 1400764-52-4 Catalog No: AG001BZS MDL No:
Product Description
Catalog Number:
AG001BZS
Chemical Name:
1-Piperidinecarboxylic acid, 3-fluoro-4-[[[(phenylmethoxy)carbonyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1400764-52-4
Molecular Formula:
C19H27FN2O4
Molecular Weight:
366.4271
IUPAC Name:
tert-butyl 3-fluoro-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C19H27FN2O4/c1-19(2,3)26-18(24)22-10-9-15(16(20)12-22)11-21-17(23)25-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,21,23)
InChI Key:
RGBOSLJMSBSHPJ-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC1CCN(CC1F)C(=O)OC(C)(C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.195g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.433g/mol
Monoisotopic Mass:
366.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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