ChemDB: Chemical Search
Download
Chemical ID: 5830263
Chemical ID:
5830263
Name [?]:
N-benzyl-N-(2-dimethylaminoethyl)-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILES [?]:
CN(C)CCN(Cc1ccccc1)C(=O)C2CCN(CC2)Cc3ccccc3O
InChi [?]:
InChI=1/C24H33N3O2/c1-25(2)16-17-27(18-20-8-4-3-5-9-20)24(29)21-12-14-26(15-13-21)19-22-10-6-7-11-23(22)28/h3-11,21,28H,12-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,12,25,26,9,13,24,27,17,21,18,20,4,5,7,22,8,16,23,28,14,2,19,6,29,15/E:(1,2)(4,5)(8,9)(12,13)(14,15)/rA:29nCNCCCNCCCCCCCCOCCCNCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s6;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2081 |
Area: | 645.225 |
Solvation: | -3.92257 |
Coulombic: | -44.4166 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.538 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.67 |
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 |
---|