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Chemical ID: 4683256
Chemical ID:
4683256
Name [?]:
1-[2-(hydroxymethyl)-1-piperidyl]-2-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCCCC2CO
InChi [?]:
InChI=1/C14H19NO2/c16-11-13-8-4-5-9-15(13)14(17)10-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,3,5,14,11,7,16,4,15,8,10,17,9/E:(2,3)(6,7)/rA:17cCCCCCCCCONCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.92412 |
Area: | 405.609 |
Solvation: | -3.2161 |
Coulombic: | -32.8252 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.306 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.57 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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