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Chemical ID: 7042760
Chemical ID:
7042760
Name [?]:
1-(3-methylphenoxy)-3-(3-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
Cc1cccc(c1)OCC(CN2CCCC(C2)C)O
InChi [?]:
InChI=1/C16H25NO2/c1-13-5-3-7-16(9-13)19-12-15(18)11-17-8-4-6-14(2)10-17/h3,5,7,9,14-15,18H,4,6,8,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,4,14,3,15,5,13,7,17,11,9,2,16,10,6,12,19,8/rA:19cCCCCCCCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s16;s10;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 44 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.62958 |
Area: | 483.278 |
Solvation: | -4.45236 |
Coulombic: | -29.6325 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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