Chemical ID: 6193927

CC1CCCCN1CC(COc2ccc(cc2)C(C)(C)C)O
Chemical ID:
6193927
Name [?]:
1-(2-methyl-1-piperidyl)-3-(4-tert-butylphenoxy)-propan-2-ol
SMILES [?]:
CC1CCCCN1CC(COc2ccc(cc2)C(C)(C)C)O
InChi [?]:
InChI=1/C19H31NO2/c1-15-7-5-6-12-20(15)13-17(21)14-22-18-10-8-16(9-11-18)19(2,3)4/h8-11,15,17,21H,5-7,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,20,21,4,5,3,14,16,13,17,6,8,10,2,15,9,12,18,7,22,11/E:(2,3,4)(8,9)(10,11)/rA:22cCCCCCCNCCCOCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:3
ZAP Information [?]
Total:8.97661
Area:534.638
Solvation:-4.38933
Coulombic:-30.3296
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:4.26
LogP (Chemaxon):4.16

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue