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Chemical ID: 4246846
Chemical ID:
4246846
Name [?]:
(1-methyl-4-piperidyl) 2-phenylacetate
SMILES [?]:
CN1CCC(CC1)OC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C14H19NO2/c1-15-9-7-13(8-10-15)17-14(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,13,17,4,6,3,7,11,12,5,9,2,10,8/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCNCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37328 |
Area: | 430.538 |
Solvation: | -2.39018 |
Coulombic: | -24.4321 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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