Chemical ID: 4256036

Cc1ccc(c(c1)C)OCC(CN2CCCC(C2)C)O
Chemical ID:
4256036
Name [?]:
1-(2,4-dimethylphenoxy)-3-(3-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)C)OCC(CN2CCCC(C2)C)O
InChi [?]:
InChI=1/C17H27NO2/c1-13-6-7-17(15(3)9-13)20-12-16(19)11-18-8-4-5-14(2)10-18/h6-7,9,14,16,19H,4-5,8,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,8,15,16,3,4,14,7,18,12,10,2,17,6,11,5,13,20,9/rA:20cCCCCCCCCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s17;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H27NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:8.22076
Area:502.906
Solvation:-4.35188
Coulombic:-29.4562
Bond Count [?]
All:21
Single:18
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.402
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.94
LogP (Chemaxon):3.46

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Experimental Annotations

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Descriptor Annotations

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