Chemical ID: 6419494

CC(c1ccccc1)N2CCN(CC2)C(C)c3ccccc3
Chemical ID:
6419494
Name [?]:
1,4-bis(1-phenylethyl)piperazine
SMILES [?]:
CC(c1ccccc1)N2CCN(CC2)C(C)c3ccccc3
InChi [?]:
InChI=1/C20H26N2/c1-17(19-9-5-3-6-10-19)21-13-15-22(16-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,6,20,5,7,19,21,4,8,18,22,10,14,11,13,2,15,3,17,9,12/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)/rA:22cCCCCCCCCNCCNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s9s13;s12;s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:11.1216
Area:507.987
Solvation:-1.57809
Coulombic:-13.8539
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.434
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.18
LogP (Chemaxon):4.34

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Descriptor Annotations

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