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Chemical ID: 4506477
Chemical ID:
4506477
Name [?]:
4-(4-benzyl-1-piperidyl)-1-phenethyl-piperidine
SMILES [?]:
c1ccc(cc1)CCN2CCC(CC2)N3CCC(CC3)Cc4ccccc4
InChi [?]:
InChI=1/C25H34N2/c1-3-7-22(8-4-1)11-16-26-17-14-25(15-18-26)27-19-12-24(13-20-27)21-23-9-5-2-6-10-23/h1-10,24-25H,11-21H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,3,5,23,27,7,17,19,11,13,8,10,14,16,20,21,4,22,18,12,9,15/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(17,18)(19,20)/rA:27nCCCCCCCCNCCCCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H34N2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3485 |
Area: | 615.256 |
Solvation: | -2.03289 |
Coulombic: | -13.8535 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 362.551 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.14 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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