Chemical ID: 5170244

c1cc(ccc1OCC(CN2CCCCC2)O)F
Chemical ID:
5170244
Name [?]:
1-(4-fluorophenoxy)-3-(1-piperidyl)propan-2-ol
SMILES [?]:
c1cc(ccc1OCC(CN2CCCCC2)O)F
InChi [?]:
InChI=1/C14H20FNO2/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16/h4-7,13,17H,1-3,8-11H2
InChi Info:
AuxInfo=1/0/N:14,13,15,2,4,1,5,12,16,10,8,3,9,6,18,11,17,7/E:(2,3)(4,5)(6,7)(8,9)/rA:18cCCCCCCOCCCNCCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s9;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20FNO2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:5.84685
Area:446.69
Solvation:-5.32039
Coulombic:-32.0592
Bond Count [?]
All:19
Single:16
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:253.313
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.14
LogP (Chemaxon):2.26

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