Chemical ID: 4663312

CCCCC(C(=O)OCC)N1CCCCC1
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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