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148583-67-9 | Piperazine, 1-[(4-bromophenyl)methyl]-4-[2-(1-methylethoxy)phenyl]-
CAS No: 148583-67-9 Catalog No: AG001L1V MDL No:
Product Description
Catalog Number:
AG001L1V
Chemical Name:
Piperazine, 1-[(4-bromophenyl)methyl]-4-[2-(1-methylethoxy)phenyl]-
CAS Number:
148583-67-9
Molecular Formula:
C20H25BrN2O
Molecular Weight:
389.3293
IUPAC Name:
1-[(4-bromophenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine
InChI:
InChI=1S/C20H25BrN2O/c1-16(2)24-20-6-4-3-5-19(20)23-13-11-22(12-14-23)15-17-7-9-18(21)10-8-17/h3-10,16H,11-15H2,1-2H3
InChI Key:
DXOMPQOANZZGLS-UHFFFAOYSA-N
SMILES:
CC(Oc1ccccc1N1CCN(CC1)Cc1ccc(cc1)Br)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.337g/mol
Monoisotopic Mass:
388.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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