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Chemical ID: 6193934
Chemical ID:
6193934
Name [?]:
1-(4-chloro-3,5-dimethyl-phenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(CN2CCCCC2C)O
InChi [?]:
InChI=1/C17H26ClNO2/c1-12-8-16(9-13(2)17(12)18)21-11-15(20)10-19-7-5-4-6-14(19)3/h8-9,14-15,20H,4-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,20,17,16,18,15,3,5,13,11,2,6,19,12,4,7,8,14,21,10/E:(1,2)(8,9)(12,13)/rA:21cCCCCCCCClCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H26ClNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.73858 |
Area: | 522.166 |
Solvation: | -4.31557 |
Coulombic: | -29.4744 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.847 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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