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Chemical ID: 5549656
Chemical ID:
5549656
Name [?]:
1-(3-phenylpropyl)-4-(p-tolylmethyl)piperazine
SMILES [?]:
Cc1ccc(cc1)CN2CCN(CC2)CCCc3ccccc3
InChi [?]:
InChI=1/C21H28N2/c1-19-9-11-21(12-10-19)18-23-16-14-22(15-17-23)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12H,5,8,13-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,20,22,16,19,23,17,3,7,4,6,15,11,13,10,14,8,2,18,5,12,9/E:(3,4)(6,7)(9,10)(11,12)(14,15)(16,17)/rA:23nCCCCCCCCNCCNCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9196 |
Area: | 556.426 |
Solvation: | -1.99105 |
Coulombic: | -13.2084 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.461 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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