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887587-52-2 | 1-Piperidinecarboxylicacid, 3-[[[(3-fluorophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887587-52-2 Catalog No: AG004DQC MDL No:
Product Description
Catalog Number:
AG004DQC
Chemical Name:
1-Piperidinecarboxylicacid, 3-[[[(3-fluorophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-52-2
Molecular Formula:
C18H27FN2O2
Molecular Weight:
322.4176
IUPAC Name:
tert-butyl 3-[[(3-fluorophenyl)methylamino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C18H27FN2O2/c1-18(2,3)23-17(22)21-9-5-7-15(13-21)12-20-11-14-6-4-8-16(19)10-14/h4,6,8,10,15,20H,5,7,9,11-13H2,1-3H3
InChI Key:
JCZZTXLCIZXOCS-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)CNCC1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.424g/mol
Monoisotopic Mass:
322.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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