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Chemical ID: 5812954
Chemical ID:
5812954
Name [?]:
(4-aminophenyl)-(2-methyl-1-piperidyl)-methanone
SMILES [?]:
CC1CCCCN1C(=O)c2ccc(cc2)N
InChi [?]:
InChI=1/C13H18N2O/c1-10-4-2-3-9-15(10)13(16)11-5-7-12(14)8-6-11/h5-8,10H,2-4,9,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,11,15,12,14,6,2,10,13,8,16,7,9/E:(5,6)(7,8)/rA:16cCCCCCCNCOCCCCCCN/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.09053 |
Area: | 389.37 |
Solvation: | -1.64373 |
Coulombic: | -34.5758 |
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: | 2.08 |
LogP (Chemaxon): | 1.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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