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Chemical ID: 7177706
Chemical ID:
7177706
Name [?]:
ethyl 1-(4-piperidyl)piperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C2CCNCC2
InChi [?]:
InChI=1/C13H24N2O2/c1-2-17-13(16)11-5-9-15(10-6-11)12-3-7-14-8-4-12/h11-12,14H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,7,11,14,16,8,10,6,12,4,15,9,5,3/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCOCOCCCNCCCCCNCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24N2O2 |
All Atoms: | 41 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.4032 |
Area: | 435.36 |
Solvation: | -2.48078 |
Coulombic: | -31.3173 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.88 |
LogP (Chemaxon): | 0.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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