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Chemical ID: 4441415
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
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Experimental Annotations
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Descriptor Annotations
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