ChemDB: Chemical Search
Download
Chemical ID: 7177767
Chemical ID:
7177767
Name [?]:
4-[(2,5-dimethylphenyl)methyl]piperidine
SMILES [?]:
Cc1ccc(c(c1)CC2CCNCC2)C
InChi [?]:
InChI=1/C14H21N/c1-11-3-4-12(2)14(9-11)10-13-5-7-15-8-6-13/h3-4,9,13,15H,5-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,3,4,10,14,11,13,7,8,2,5,9,6,12/E:(5,6)(7,8)/rA:15nCCCCCCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s9s13;s5;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21N |
All Atoms: | 36 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.69063 |
Area: | 388.218 |
Solvation: | -1.01481 |
Coulombic: | -10.4897 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.4 |
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 |
---|