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Chemical ID: 4250455
Chemical ID:
4250455
Name [?]:
(2-aminophenyl)-(4-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCN(CC1)C(=O)c2ccccc2N
InChi [?]:
InChI=1/C13H18N2O/c1-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,3,7,4,6,2,10,15,8,16,5,9/E:(6,7)(8,9)/rA:16nCCCCNCCCOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.11167 |
Area: | 393.261 |
Solvation: | -1.71985 |
Coulombic: | -35.1704 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 218.295 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.55 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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