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ChemDiv3_000228,NCIOpen2_009994,Oprea1_065166,Oprea1_130857,NSC88257,I

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摘 要:ChemDiv3_000228,NCIOpen2_009994,Oprea1_065166,Oprea1_130857,NSC88257,IDI1_019546,BAS 00344542,A1254/0057316,17419-71-5, 1-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]piperazine,Canonical SMILES: C1CN(CCN1CN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4,InChI: InChI=1
[Synonyms]
ChemDiv3_000228
NCIOpen2_009994
Oprea1_065166
Oprea1_130857
NSC88257
IDI1_019546
BAS 00344542
A1254/0057316
17419-71-5

[Structure]
ChemDiv3_000228,NCIOpen2_009994,Oprea1_065166,Oprea1_130857,NSC88257,I

[ Properties Computed from Structure]
Molecular Weight336.47382 [g/mol]
Molecular FormulaC21H28N4
XLogP3.7
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass336.231397
MonoIsotopic Mass336.231397
Topological Polar Surface Area13
Heavy Atom Count25
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-phenyl-4-[(4-phenylpiperazin-1-yl)methyl]piperazine
Canonical SMILES: C1CN(CCN1CN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1/C21H28N4/c1-3-7-20(8-4-1)24-15-11-22(12-16-24)19-23-13-17-25(18-
14-23)21-9-5-2-6-10-21/h1-10H,11-19H2

 
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