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Home > Bromides > 1286263-42-0
1286263-42-0 | tert-Butyl 1-(2-bromobenzyl)piperidin-4-ylcarbamate
CAS No: 1286263-42-0 Catalog No: AG01F8Q6 MDL No:
Product Description
Catalog Number:
AG01F8Q6
Chemical Name:
tert-Butyl 1-(2-bromobenzyl)piperidin-4-ylcarbamate
CAS Number:
1286263-42-0
Molecular Formula:
C17H25BrN2O2
Molecular Weight:
369.2966
IUPAC Name:
tert-butyl N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)19-14-8-10-20(11-9-14)12-13-6-4-5-7-15(13)18/h4-7,14H,8-12H2,1-3H3,(H,19,21)
InChI Key:
JIMBPXAIJPCZGA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCN(CC1)Cc1ccccc1Br
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.303g/mol
Monoisotopic Mass:
368.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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