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Chemical ID: 4178744
Chemical ID:
4178744
Name [?]:
1-(1-methyl-4-piperidyl)azocane
SMILES [?]:
CN1CCC(CC1)N2CCCCCCC2
InChi [?]:
InChI=1/C13H26N2/c1-14-11-7-13(8-12-14)15-9-5-3-2-4-6-10-15/h13H,2-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,4,6,9,15,3,7,5,2,8/E:(3,4)(5,6)(7,8)(9,10)(11,12)/rA:15nCNCCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s12;s13;s8s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34792 |
Area: | 381.729 |
Solvation: | -1.19531 |
Coulombic: | -10.3632 |
Bond Count [?]
All: | 16 |
Single: | 16 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.359 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.25 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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