Chemical ID: 4956608

c1ccc(cc1)CC2CCCC(N2)Cc3ccccc3
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue