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Chemical ID: 4122127
Chemical ID:
4122127
Name [?]:
3-chloro-4-(4-methyl-1-piperidyl)-aniline
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2Cl)N
InChi [?]:
InChI=1/C12H17ClN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,3,7,4,6,12,2,11,13,8,14,15,5/E:(4,5)(6,7)/rA:15nCCCCNCCCCCCCCClN/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17ClN2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.51656 |
Area: | 396.338 |
Solvation: | -1.3919 |
Coulombic: | -24.1249 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 224.73 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.41 |
LogP (Chemaxon): | 3.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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