ChemDB: Chemical Search
Download
Chemical ID: 5758429
Chemical ID:
5758429
Name [?]:
3-methyl-1-tert-butyl-piperidin-4-one
SMILES [?]:
CC1CN(CCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C10H19NO/c1-8-7-11(10(2,3)4)6-5-9(8)12/h8H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,11,12,6,5,3,2,7,9,4,8/E:(2,3,4)/rA:12cCCCNCCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;d7;s4;s9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.23567 |
Area: | 334.152 |
Solvation: | -2.11813 |
Coulombic: | -11.6998 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 169.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.08 |
LogP (Chemaxon): | 1.71 |
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 |
---|