Chemical ID: 7025206

CC1CC(CN(C1)C(=O)c2ccc(cc2)OC(C)C)C
Chemical ID:
7025206
Name [?]:
(3,5-dimethyl-1-piperidyl)-(4-isopropoxyphenyl)-methanone
SMILES [?]:
CC1CC(CN(C1)C(=O)c2ccc(cc2)OC(C)C)C
InChi [?]:
InChI=1/C17H25NO2/c1-12(2)20-16-7-5-15(6-8-16)17(19)18-10-13(3)9-14(4)11-18/h5-8,12-14H,9-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,19,1,20,11,15,12,14,3,7,5,17,2,4,10,13,8,6,9,16/E:(1,2)(3,4)(5,6)(7,8)(10,11)(13,14)/rA:20cCCCCCNCCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO2
All Atoms:45
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.58366
Area:486.802
Solvation:-2.5864
Coulombic:-26.5169
Bond Count [?]
All:21
Single:17
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:275.386
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.82
LogP (Chemaxon):3.22

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