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Chemical ID: 6419494
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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