Chemical ID: 4506477

c1ccc(cc1)CCN2CCC(CC2)N3CCC(CC3)Cc4ccccc4
Chemical ID:
4506477
Name [?]:
4-(4-benzyl-1-piperidyl)-1-phenethyl-piperidine
SMILES [?]:
c1ccc(cc1)CCN2CCC(CC2)N3CCC(CC3)Cc4ccccc4
InChi [?]:
InChI=1/C25H34N2/c1-3-7-22(8-4-1)11-16-26-17-14-25(15-18-26)27-19-12-24(13-20-27)21-23-9-5-2-6-10-23/h1-10,24-25H,11-21H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,3,5,23,27,7,17,19,11,13,8,10,14,16,20,21,4,22,18,12,9,15/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(17,18)(19,20)/rA:27nCCCCCCCCNCCCCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.3485
Area:615.256
Solvation:-2.03289
Coulombic:-13.8535
Bond Count [?]
All:30
Single:24
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:362.551
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.14
LogP (Chemaxon):4.83

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