Chemical ID: 6430423

CC1CC(CC(C1)(C)C)OCC(CN2CC(CC(C2)C)C)O
Chemical ID:
6430423
Name [?]:
1-(3,5-dimethyl-1-piperidyl)-3-(3,3,5-trimethylcyclohexoxy)-propan-2-ol
SMILES [?]:
CC1CC(CC(C1)(C)C)OCC(CN2CC(CC(C2)C)C)O
InChi [?]:
InChI=1/C19H37NO2/c1-14-7-18(9-19(4,5)8-14)22-13-17(21)12-20-10-15(2)6-16(3)11-20/h14-18,21H,6-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,20,21,8,9,17,3,7,5,19,15,13,11,2,18,16,12,4,6,14,22,10/E:(2,3)(4,5)(10,11)(15,16)/rA:22cCCCCCCCCCOCCCNCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s6;s4;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s18;s16;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H37NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:5
ZAP Information [?]
Total:9.64003
Area:555.526
Solvation:-4.24812
Coulombic:-31.0682
Bond Count [?]
All:23
Single:23
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.503
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):3.83

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Experimental Annotations

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Descriptor Annotations

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