ChemDB: Chemical Search
Download
Chemical ID: 6600641
Chemical ID:
6600641
Name [?]:
1-piperidylcarbonylmethyl 4-dimethylaminobenzoate
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)OCC(=O)N2CCCCC2
InChi [?]:
InChI=1/C16H22N2O3/c1-17(2)14-8-6-13(7-9-14)16(20)21-12-15(19)18-10-4-3-5-11-18/h6-9H,3-5,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,18,20,6,8,5,9,17,21,13,7,4,14,10,2,16,15,11,12/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:21nCNCCCCCCCCOOCCONCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.43748 |
Area: | 510.658 |
Solvation: | -3.32898 |
Coulombic: | -42.808 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 290.358 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.35 |
LogP (Chemaxon): | 1.75 |
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 |
---|