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Chemical ID: 6157351
Chemical ID:
6157351
Name [?]:
1-(4-methyl-1-piperidyl)-2-(p-tolyl)ethanone
SMILES [?]:
Cc1ccc(cc1)CC(=O)N2CCC(CC2)C
InChi [?]:
InChI=1/C15H21NO/c1-12-3-5-14(6-4-12)11-15(17)16-9-7-13(2)8-10-16/h3-6,13H,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,13,15,12,16,8,2,14,5,9,11,10/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58612 |
Area: | 430.589 |
Solvation: | -2.17861 |
Coulombic: | -17.0706 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.19 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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