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Home > Bromides > 1286275-89-5
1286275-89-5 | tert-Butyl [1-(2-bromobenzyl)piperidin-4-yl]methylcarbamate
CAS No: 1286275-89-5 Catalog No: AG01F6U7 MDL No:
Product Description
Catalog Number:
AG01F6U7
Chemical Name:
tert-Butyl [1-(2-bromobenzyl)piperidin-4-yl]methylcarbamate
CAS Number:
1286275-89-5
Molecular Formula:
C18H27BrN2O2
Molecular Weight:
383.3232
IUPAC Name:
tert-butyl N-[[1-[(2-bromophenyl)methyl]piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)20-12-14-8-10-21(11-9-14)13-15-6-4-5-7-16(15)19/h4-7,14H,8-13H2,1-3H3,(H,20,22)
InChI Key:
FTODVJVFGIOOIQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)Cc1ccccc1Br
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:
3.9
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