ChemDB: Chemical Search
Download
Chemical ID: 4363092
Chemical ID:
4363092
Name [?]:
2,6-bis(4-chlorophenyl)-3-methyl-piperidin-4-one
SMILES [?]:
CC1C(NC(CC1=O)c2ccc(cc2)Cl)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H17Cl2NO/c1-11-17(22)10-16(12-2-6-14(19)7-3-12)21-18(11)13-4-8-15(20)9-5-13/h2-9,11,16,18,21H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,14,17,21,11,13,18,20,6,2,9,16,12,19,5,7,3,15,22,4,8/E:(2,3)(4,5)(6,7)(8,9)/rA:22cCCCNCCCOCCCCCCClCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;d7;s5;s9;d10;s11;d12;d9s13;s12;s3;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl2NO |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.0483 |
Area: | 531.609 |
Solvation: | -2.24198 |
Coulombic: | -19.6176 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 334.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.41 |
LogP (Chemaxon): | 5.25 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|