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887587-74-8 | 1-Piperidinecarboxylicacid, 2-[[[(2-bromophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887587-74-8 Catalog No: AG004DQ8 MDL No:
Product Description
Catalog Number:
AG004DQ8
Chemical Name:
1-Piperidinecarboxylicacid, 2-[[[(2-bromophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887587-74-8
Molecular Formula:
C18H27BrN2O2
Molecular Weight:
383.3232
IUPAC Name:
tert-butyl 2-[[(2-bromophenyl)methylamino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)21-11-7-6-9-15(21)13-20-12-14-8-4-5-10-16(14)19/h4-5,8,10,15,20H,6-7,9,11-13H2,1-3H3
InChI Key:
SOGCAFQIADRZAQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1CNCc1ccccc1Br)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:
382.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.33g/mol
Monoisotopic Mass:
382.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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