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Chemical ID: 4179067
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
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Experimental Annotations
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Descriptor Annotations
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