Chemical ID: 4441415

CC1CC(CN(C1)CCOc2ccc(cc2)F)C
Chemical ID:
4441415
Name [?]:
1-[2-(4-fluorophenoxy)ethyl]-3,5-dimethyl-piperidine
SMILES [?]:
CC1CC(CN(C1)CCOc2ccc(cc2)F)C
InChi [?]:
InChI=1/C15H22FNO/c1-12-9-13(2)11-17(10-12)7-8-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,13,15,12,16,8,9,3,7,5,2,4,14,11,17,6,10/E:(1,2)(3,4)(5,6)(10,11)(12,13)/rA:18cCCCCCNCCCOCCCCCCFC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22FNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:7.59454
Area:447.696
Solvation:-3.59785
Coulombic:-16.7096
Bond Count [?]
All:19
Single:16
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.34
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.41
LogP (Chemaxon):3.44

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