Chemical ID: 4179067

CC1CCN(CC1)C2CCN(CC2)CCc3ccccc3
Chemical ID:
4179067
Name [?]:
4-methyl-1-(1-phenethyl-4-piperidyl)-piperidine
SMILES [?]:
CC1CCN(CC1)C2CCN(CC2)CCc3ccccc3
InChi [?]:
InChI=1/C19H30N2/c1-17-7-15-21(16-8-17)19-10-13-20(14-11-19)12-9-18-5-3-2-4-6-18/h2-6,17,19H,7-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,3,7,15,9,13,14,10,12,4,6,2,16,8,11,5/E:(3,4)(5,6)(7,8)(10,11)(13,14)(15,16)/rA:21nCCCCNCCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H30N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.1235
Area:510.494
Solvation:-1.63885
Coulombic:-12.1925
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.455
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.7
LogP (Chemaxon):3.21

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