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Chemical ID: 5242071
Chemical ID:
5242071
Name [?]:
N,2-dimethyl-4-(1-piperidylmethyl)aniline
SMILES [?]:
Cc1cc(ccc1NC)CN2CCCCC2
InChi [?]:
InChI=1/C14H22N2/c1-12-10-13(6-7-14(12)15-2)11-16-8-4-3-5-9-16/h6-7,10,15H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,14,13,15,5,6,12,16,3,10,2,4,7,8,11/E:(4,5)(8,9)/rA:16nCCCCCCCNCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82641 |
Area: | 414.089 |
Solvation: | -1.5258 |
Coulombic: | -17.4539 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.51 |
LogP (Chemaxon): | 2.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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