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Chemical ID: 4663312
Chemical ID:
4663312
Name [?]:
ethyl 2-(1-piperidyl)hexanoate
SMILES [?]:
CCCCC(C(=O)OCC)N1CCCCC1
InChi [?]:
InChI=1/C13H25NO2/c1-3-5-9-12(13(15)16-4-2)14-10-7-6-8-11-14/h12H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,2,9,3,14,13,15,4,12,16,5,6,11,7,8/E:(7,8)(10,11)/rA:16cCCCCCCOOCCNCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s5;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.89087 |
Area: | 434.929 |
Solvation: | -1.98235 |
Coulombic: | -25.522 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 227.343 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.08 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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