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887581-75-1 | 1-Piperidinecarboxylicacid, 4-[[[(2-bromophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 887581-75-1 Catalog No: AG004CE3 MDL No:
Product Description
Catalog Number:
AG004CE3
Chemical Name:
1-Piperidinecarboxylicacid, 4-[[[(2-bromophenyl)methyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
887581-75-1
Molecular Formula:
C18H27BrN2O2
Molecular Weight:
383.3232
IUPAC Name:
tert-butyl 4-[[(2-bromophenyl)methylamino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)21-10-8-14(9-11-21)12-20-13-15-6-4-5-7-16(15)19/h4-7,14,20H,8-13H2,1-3H3
InChI Key:
VBXJXDOWEFFOQR-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)CNCc1ccccc1Br)OC(C)(C)C
Properties
Complexity:
376
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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