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204122-39-4 | Piperazine, 1-(3-methoxyphenyl)-4-(phenylmethyl)-
CAS No: 204122-39-4 Catalog No: AG0029AG MDL No:
Product Description
Catalog Number:
AG0029AG
Chemical Name:
Piperazine, 1-(3-methoxyphenyl)-4-(phenylmethyl)-
CAS Number:
204122-39-4
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
IUPAC Name:
1-benzyl-4-(3-methoxyphenyl)piperazine
InChI:
InChI=1S/C18H22N2O/c1-21-18-9-5-8-17(14-18)20-12-10-19(11-13-20)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15H2,1H3
InChI Key:
CYRHVKCJBFDUQM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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