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Chemical ID: 4954386
Chemical ID:
4954386
Name [?]:
1-(2-methylphenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
Cc1ccccc1OCC(CN2CCCCC2)O
InChi [?]:
InChI=1/C15H23NO2/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,4,5,14,16,3,6,13,17,11,9,2,10,7,12,18,8/E:(5,6)(9,10)/rA:18cCCCCCCCOCCCNCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.08939 |
Area: | 458.701 |
Solvation: | -4.37814 |
Coulombic: | -29.4012 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 249.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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