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Chemical ID: 7100314
Chemical ID:
7100314
Name [?]:
2-(2,5-dimethylphenyl)piperidine
SMILES [?]:
Cc1ccc(c(c1)C2CCCCN2)C
InChi [?]:
InChI=1/C13H19N/c1-10-6-7-11(2)12(9-10)13-5-3-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,10,11,9,3,4,12,7,2,5,6,8,13/rA:14cCCCCCCCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N |
All Atoms: | 33 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.24694 |
Area: | 365.068 |
Solvation: | -0.87976 |
Coulombic: | -10.5785 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.297 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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