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Chemical ID: 4178890
Chemical ID:
4178890
Name [?]:
ethyl 1-(1-ethyl-4-piperidyl)piperidine-4-carboxylate
SMILES [?]:
CCN1CCC(CC1)N2CCC(CC2)C(=O)OCC
InChi [?]:
InChI=1/C15H28N2O2/c1-3-16-9-7-14(8-10-16)17-11-5-13(6-12-17)15(18)19-4-2/h13-14H,3-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,18,11,13,5,7,4,8,10,14,12,6,15,3,9,16,17/E:(5,6)(7,8)(9,10)(11,12)/rA:19nCCNCCCCCNCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H28N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44849 |
Area: | 479.426 |
Solvation: | -2.53715 |
Coulombic: | -27.7264 |
Bond Count [?]
All: | 20 |
Single: | 19 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.395 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.54 |
LogP (Chemaxon): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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