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Chemical ID: 5044608
Chemical ID:
5044608
Name [?]:
ethyl 1-(1-methyl-4-piperidyl)piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C2CCN(CC2)C
InChi [?]:
InChI=1/C14H26N2O2/c1-3-18-14(17)12-4-10-16(11-5-12)13-6-8-15(2)9-7-13/h12-13H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,7,11,13,17,14,16,8,10,6,12,4,15,9,5,3/E:(4,5)(6,7)(8,9)(10,11)/rA:18nCCOCOCCCNCCCCCNCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;s13;s14;s15;s12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H26N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83414 |
Area: | 455.896 |
Solvation: | -2.56326 |
Coulombic: | -27.5467 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.369 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.12 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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