ChemDB: Chemical Search
Download
Chemical ID: 4956608
Chemical ID:
4956608
Name [?]:
2,6-dibenzylpiperidine
SMILES [?]:
c1ccc(cc1)CC2CCCC(N2)Cc3ccccc3
InChi [?]:
InChI=1/C19H23N/c1-3-8-16(9-4-1)14-18-12-7-13-19(20-18)15-17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2
InChi Info:
AuxInfo=1/0/N:1,18,2,6,17,19,10,3,5,16,20,9,11,7,14,4,15,8,12,13/E:(1,2)(3,4,5,6)(8,9,10,11)(12,13)(14,15)(16,17)(18,19)/rA:20cCCCCCCCCCCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1813 |
Area: | 460.926 |
Solvation: | -1.34184 |
Coulombic: | -12.772 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 265.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.72 |
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 |
---|