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Chemical ID: 4390841
Chemical ID:
4390841
Name [?]:
1-[(2-ethoxyphenyl)methyl]-4-(4-methyl-1-piperidyl)-piperidine
SMILES [?]:
CCOc1ccccc1CN2CCC(CC2)N3CCC(CC3)C
InChi [?]:
InChI=1/C20H32N2O/c1-3-23-20-7-5-4-6-18(20)16-21-12-10-19(11-13-21)22-14-8-17(2)9-15-22/h4-7,17,19H,3,8-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,7,6,8,5,19,21,13,15,12,16,18,22,10,20,9,14,4,11,17,3/E:(8,9)(10,11)(12,13)(14,15)/rA:23nCCOCCCCCCCNCCCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H32N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2188 |
Area: | 539.866 |
Solvation: | -3.27789 |
Coulombic: | -18.1185 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.481 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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