Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 314.50806 [g/mol] Molecular Formula C21H34N2 XLogP 5.2 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 314.272199 MonoIsotopic Mass 314.272199 Topological Polar Surface Area 6.5 Heavy Atom Count 23 Formal Charge 0 Complexity 362 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-(4-tert-butyl-1-phenylcyclohexyl)-4-methylpiperazine
Canonical SMILES: CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)N3CCN(CC3)C
InChI: InChI=1/C21H34N2/c1-20(2,3)18-10-12-21(13-11-18,
19-8-6-5-7-9-19)23-16-14-22(4)15-17-23/h5-9,18H,10-17H2,1-4H3
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