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Home > Bromides > 1286274-02-9
1286274-02-9 | tert-Butyl [1-(3-bromobenzyl)piperidin-4-yl]methylcarbamate
CAS No: 1286274-02-9 Catalog No: AG01F6U2 MDL No:
Product Description
Catalog Number:
AG01F6U2
Chemical Name:
tert-Butyl [1-(3-bromobenzyl)piperidin-4-yl]methylcarbamate
CAS Number:
1286274-02-9
Molecular Formula:
C18H27BrN2O2
Molecular Weight:
383.3232
IUPAC Name:
tert-butyl N-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)20-12-14-7-9-21(10-8-14)13-15-5-4-6-16(19)11-15/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,20,22)
InChI Key:
CGVCEYJOBHBZCD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)Cc1cccc(c1)Br
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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