Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 327.4207 [g/mol] Molecular Formula C19H25N3O2 XLogP 3 H-Bond Donor 0 H-Bond Acceptor 5 Rotatable Bond Count 6 Exact Mass 327.194677 MonoIsotopic Mass 327.194677 Topological Polar Surface Area 37.8 Heavy Atom Count 24 Formal Charge 0 Complexity 349 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-[2-(2,6-dimethoxyphenyl)ethyl]-4-pyridin-2-ylpiperazine
Canonical SMILES: COC1=C(C(=CC=C1)OC)CCN2CCN(CC2)C3=CC=CC=N3
InChI: InChI=1/C19H25N3O2/c1-23-17-6-5-7-18(24-2)16(17)9-11-21-12-14-22(15-13-
21)19-8-3-4-10-20-19/h3-8,10H,9,11-15H2,1-2H3
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