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Chemical ID: 6333159
Chemical ID:
6333159
Name [?]:
1-(1-cyclohexyl-4-piperidyl)-4-ethyl-piperazine
SMILES [?]:
CCN1CCN(CC1)C2CCN(CC2)C3CCCCC3
InChi [?]:
InChI=1/C17H33N3/c1-2-18-12-14-20(15-13-18)17-8-10-19(11-9-17)16-6-4-3-5-7-16/h16-17H,2-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,16,20,10,14,11,13,4,8,5,7,15,9,3,12,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:20nCCNCCNCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H33N3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3211 |
Area: | 480.993 |
Solvation: | -1.70377 |
Coulombic: | -15.2284 |
Bond Count [?]
All: | 22 |
Single: | 22 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.464 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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