ChemDB: Chemical Search
Download
Chemical ID: 4986353
Chemical ID:
4986353
Name [?]:
1-phenethylpiperidine
SMILES [?]:
c1ccc(cc1)CCN2CCCCC2
InChi [?]:
InChI=1/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
InChi Info:
AuxInfo=1/0/N:1,12,2,6,11,13,3,5,7,10,14,8,4,9/E:(3,4)(5,6)(7,8)(10,11)/rA:14nCCCCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54182 |
Area: | 381.306 |
Solvation: | -0.990836 |
Coulombic: | -7.32642 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.8 |
LogP (Chemaxon): | 2.91 |
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 |
---|