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Chemical ID: 6800218
Chemical ID:
6800218
Name [?]:
(1-acetyl-4-piperidyl)-(3-ethoxypropyl)ammonium
SMILES [?]:
CCOCCC[NH2+]C1CCN(CC1)C(=O)C
InChi [?]:
InChI=1/C12H24N2O2/c1-3-16-10-4-7-13-12-5-8-14(9-6-12)11(2)15/h12-13H,3-10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,16,2,5,9,13,6,10,12,4,14,8,7,11,15,3/E:(5,6)(8,9)/rA:16nCCOCCCN+CCCNCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25N2O2+ |
All Atoms: | 41 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -26.046 |
Area: | 452.922 |
Solvation: | -37.369 |
Coulombic: | 14.6925 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 229.339 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.6 |
LogP (Chemaxon): | -0.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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