Chemical ID: 5533224

Cc1cc(ccc1C(C)C)OCC(CN2CCCCC2C)O
Chemical ID:
5533224
Name [?]:
1-(4-isopropyl-3-methyl-phenoxy)-3-(2-methyl-1-piperidyl)-propan-2-ol
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(CN2CCCCC2C)O
InChi [?]:
InChI=1/C19H31NO2/c1-14(2)19-9-8-18(11-15(19)3)22-13-17(21)12-20-10-6-5-7-16(20)4/h8-9,11,14,16-17,21H,5-7,10,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:9,10,1,21,18,17,19,5,6,16,3,14,12,8,2,20,13,4,7,15,22,11/E:(1,2)/rA:22cCCCCCCCCCCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s20;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:9.06439
Area:537.976
Solvation:-4.38501
Coulombic:-29.8782
Bond Count [?]
All:23
Single:20
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.455
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.28
LogP (Chemaxon):4.2

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Descriptor Annotations

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