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Chemical ID: 6377741
Chemical ID:
6377741
Name [?]:
1-(2-methyl-1-piperidyl)-2,2-diphenyl-ethanone
SMILES [?]:
CC1CCCCN1C(=O)C(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C20H23NO/c1-16-10-8-9-15-21(16)20(22)19(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-7,11-14,16,19H,8-10,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,20,13,15,19,21,4,5,3,12,16,18,22,6,2,11,17,10,8,7,9/E:(2,3)(4,5,6,7)(11,12,13,14)(17,18)/rA:22cCCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.96806 |
Area: | 478.111 |
Solvation: | -1.98472 |
Coulombic: | -20.1423 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.403 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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