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Chemical ID: 6522455
Chemical ID:
6522455
Name [?]:
cyclohexyl-[2-(2-hydroxyethyl)-1-piperidyl]-methanone
SMILES [?]:
C1CCC(CC1)C(=O)N2CCCCC2CCO
InChi [?]:
InChI=1/C14H25NO2/c16-11-9-13-8-4-5-10-15(13)14(17)12-6-2-1-3-7-12/h12-13,16H,1-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,3,5,13,15,10,16,4,14,7,9,17,8/E:(2,3)(6,7)/rA:17cCCCCCCCONCCCCCCCO/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.67601 |
Area: | 422.729 |
Solvation: | -2.89221 |
Coulombic: | -33.1404 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.31 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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