Chemical ID: 4171568

c1ccc(cc1)N2CCN(CC2)Cc3cccc(c3)Br
Chemical ID:
4171568
Name [?]:
1-[(3-bromophenyl)methyl]-4-phenyl-piperazine
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)Cc3cccc(c3)Br
InChi [?]:
InChI=1/C17H19BrN2/c18-16-6-4-5-15(13-16)14-19-9-11-20(12-10-19)17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,15,17,3,5,9,11,8,12,19,13,14,18,4,20,10,7/E:(2,3)(7,8)(9,10)(11,12)/rA:20nCCCCCCNCCNCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19BrN2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.0947
Area:480.597
Solvation:-1.92021
Coulombic:-14.0007
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:331.25
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.38
LogP (Chemaxon):4.68

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