Chemical ID: 6430324

CC1CCCC(N1CC(COc2ccc(cc2)C(C)C)O)C
Chemical ID:
6430324
Name [?]:
1-(2,6-dimethyl-1-piperidyl)-3-(4-isopropylphenoxy)-propan-2-ol
SMILES [?]:
CC1CCCC(N1CC(COc2ccc(cc2)C(C)C)O)C
InChi [?]:
InChI=1/C19H31NO2/c1-14(2)17-8-10-19(11-9-17)22-13-18(21)12-20-15(3)6-5-7-16(20)4/h8-11,14-16,18,21H,5-7,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,22,4,3,5,14,16,13,17,8,10,18,2,6,15,9,12,7,21,11/E:(1,2)(3,4)(6,7)(8,9)(10,11)(15,16)/rA:22cCCCCCCNCCCOCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s9;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:8.95697
Area:531.491
Solvation:-4.33031
Coulombic:-30.2
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:4.31
LogP (Chemaxon):4.14

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