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Chemical ID: 5126276
Chemical ID:
5126276
Name [?]:
1-[4-(3-hydroxyphenyl)-1-methyl-4-piperidyl]propan-1-one
SMILES [?]:
CCC(=O)C1(CCN(CC1)C)c2cccc(c2)O
InChi [?]:
InChI=1/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,14,13,15,6,10,7,9,17,12,16,3,5,8,18,4/E:(7,8)(9,10)/rA:18nCCCOCCCNCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;s5;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44679 |
Area: | 424.425 |
Solvation: | -3.16385 |
Coulombic: | -28.9332 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.333 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.0 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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